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Báo cáo khoa học: Chromophore attachment in phycocyanin Functional amino acids of phycocyanobilin – a-phycocyanin lyase and evidence for chromophore binding doc

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The enzyme also lost activity when in CpcF 213 resi-dues the 20 N-terminal amino acids were truncated; truncation of 53 C-terminal amino acids inhibited complex formation with CpcE, poss

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Functional amino acids of phycocyanobilin – a-phycocyanin lyase

and evidence for chromophore binding

Kai-Hong Zhao1, Dong Wu1, Ling Zhang1, Ming Zhou1, Stephan Bo¨hm2, Claudia Bubenzer2

and Hugo Scheer2

1 College of Life Science and Technology, Huazhong University of Science and Technology, Hubei, China

2 Department Biologie I – Bereich Botanik, Universita¨t Mu¨nchen, Germany

Phycobiliproteins are a homologous family of

light-harvesting proteins present in cyanobacteria, red algae,

and cryptophytes [1,2] They absorb light in the

regions where chlorophyll absorbs poorly, and transfer

excitation energy with high quantum efficiency to the photosynthetic reaction centres Directed energy trans-fer is determined by the spectroscopic properties and relative positions of the various chromophores present,

Keywords

biliproteins; biosynthesis; cyanobacteria;

photosynthesis; post-translational

modification

Correspondence

K.-H Zhao, College of Life Science and

Technology, Huazhong University of Science

and Technology, Wuhan 430074, Hubei,

China

Tel ⁄ Fax: +86 27 8754 1634

E-mail: kaihongzhao@tom.com

H Scheer, Department Biologie I – Bereich

Botanik, Universita¨t Mu¨nchen,

Menzinger Str 67, D-80638 Munich,

Germany

Fax: +49 89 17861 271

Tel.: +49 89 17861 295

E-mail: hugo.scheer@lmu.de

(Received 10 November 2005, revised 17

January 2006, accepted 20 January 2006)

doi:10.1111/j.1742-4658.2006.05149.x

Covalent attachment of phycocyanobilin (PCB) to the a-subunit of C-phy-cocyanin, CpcA, is catalysed by the heterodimeric PCB : CpcA lyase, CpcE⁄ F [Fairchild CD, Zhao J, Zhou J, Colson SE, Bryant DA & Glazer

AN (1992) Proc Natl Acad Sci USA 89, 7017–7021] CpcE and CpcF of the cyanobacterium, Mastigocladus laminosus PCC 7603, form a 1 : 1 com-plex Lyase-mutants were constructed to probe functional domains When

in CpcE (276 residues) the N terminus was truncated beyond the R33YYAAWWL motif, or the C terminus beyond amino acid 237, the enzyme became inactive Activity decreases to 20% when C-terminal trun-cations went beyond L275, which is a key residue: the Kmof CpcE(L275D) and (L276D) increased by 61% and 700%, kcat⁄ Km decreased 3- and 83-fold, respectively The enzyme also lost activity when in CpcF (213 resi-dues) the 20 N-terminal amino acids were truncated; truncation of 53 C-terminal amino acids inhibited complex formation with CpcE, possibly due to misfolding According to chemical modifications, one accessible arginine and one accessible tryptophan are essential for CpcE activity, and one carboxylate for CpcF Both subunits bind PCB, as assayed by Ni2+ affinity chromatography, SDS⁄ PAGE and Zn2+-induced fluorescence The bound PCB could be transferred to CpcA to yield a-CPC The PCB transfer capacity correlates with the activity of the lyase, indicating that PCB bound

to CpcE⁄ F is an intermediate of the enzymatic reaction A catalytic mech-anism is proposed, in which a CpcE⁄ F complex binds PCB and adjusts via

a salt bridge the conformation of PCB, which is then transferred to CpcA

Abbreviations

APC, allophycocyanin; CHD, 1,2-cyclohexanedione; CPC, C-phycocyanin; CpcA, a subunit apoprotein of C-phycocyanin; CpcE(x-y) or CpcF(x-y), truncated CpcE or CpcF, respectively, extending from amino acid ‘‘x’’ to amino acid ‘‘y’’; CpcE, CpcF subunits of the heterodimeric PCB:CpcA lyase; CpcE ⁄ F, complex of CpcE and CpcF, DEPC, diethylpyrocarbonate; EDAC, 1-ethyl-3-[3-(dimethylamino)propyl]

carbodiimide; IAA, iodoacetic acid; KPB, potassium phosphate buffer; NBS, N-bromosuccinimide; PC, phycocyanin; PCB, phycocyanobilin; PCMS, p-chloromercuriphenylsulfonic acid; PE, phycoerythrin; PEB, phycoerythrobilin; PEC, phycoerythrocyanin; PecE, PecF, subunits

of PVB:PecA isomerase-lyase; PGO, phenylglyoxal; PLP, pyridoxal-5’-phosphate; PUB, phycourobilin; PVB, phycoviolobilin;

TX100, Triton X-100.

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i.e linear tetrapyrroles (phycobilins) of which one to

four are covalently attached to the subunits by

thio-ether bonds to conserved cysteines Phycobiliproteins

from cyanobacteria are heterohexamers (ab)3, which

are organized by linker proteins to large antenna

com-plexes, the phycobilisomes Some of the linkers also

carry phycobilin chromophores [3]

In cyanobacteria, four classes of biliproteins have

been assigned on the basis of their visible absorptions

and sequence homologies: phycocyanin (PC),

erythrin (PE), allophycocyanin (APC) and

phyco-erythrocyanin (PEC) They contain, alone or in

combination, four different types of isomeric bilin

chromophores: phycourobilin (PUB),

phycoerythrobi-lin (PEB), phycobiliviophycoerythrobi-lin (PVB), and phycocyanobiphycoerythrobi-lin

(PCB) [4] C-phycocyanin (CPC) from Mastigocladus

laminosusPCC 7603 studied in this work, carries three

PCB at cysteines a-C84, b-C82, and b-C155 [5,6]

The last step in phycobilin biosynthesis [7] is the

addition of phycobilin to the apoproteins In vivo, the

correct attachment of most chromophores is catalysed

by binding site- and chromophore-specific lyases, of

which only a few have hitherto been characterized

[8–10] Since chromophore addition is autocatalytic in

some biliproteins (phytochromes, ApcE) [11–15] and

proceeds spontaneously, but more slowly and with less

fidelity, also in the phycobiliproteins like CPC [16,17],

a chaperone-like action has been proposed for these

lyases [8,17] This view has been strengthened by the

observation of low activities of chromophore binding

to all binding sites studied, including a-C84 of PecA

[16–18], by the site-selective effect of Triton X-100

(TX100) on chromophore binding to PecB, and by its

inhibition of side reactions on binding to CpcA [17]

The first and hitherto best studied lyase attaches

PCB to the highly conserved a-C84 of CpcA from

Syn-echococcus sp PCC7002 [19,20] In this and several

other cyanobacteria, it is coded by two genes, cpcE

and cpcF, which are located in the cpc operon

down-stream of the structural genes for the two CPC

sub-units A similar organization has been found for other

biliprotein:a-C84 lyase genes, but other arrangements

including isolated and fused genes have been reported

[8,21,22]

The lyase function of the proteins has been

demon-strated in vitro for CpcE and CpcF from Synechococcus

sp PCC7002, Anabaena sp PCC7120, Synechocystis sp

PCC6803, M laminosus PCC7603, but has only been

studied in some detail for Synechococcus sp PCC7002

[13,23,24] Mutants lacking cpcE and⁄ or cpcF (or their

homologues) produce significantly reduced amounts of

CPC [20,25,26] Homologous lyases of the ‘E⁄ F-type’

are involved in the attachment of PEB and PCB to C84

of the a-subunits of CPE and PEC, respectively; the latter reaction involves a concomitant isomerization of PCB to PVB [9,18] In vitro, CpcE and CpcF produced

in Escherichia coli jointly catalysed the correct attach-ment of PCB to CpcA-C84, while CpcE or CpcF alone were ineffective CpcE and CpcF can also transfer the bilin homo- and heterologously from a chromophoryl-ated to a nonchromophorylchromophoryl-ated CpcA: this reaction was reversible and specific for the a-84 site [23] CpcE and CpcF from Nostoc sp PCC7120 can transfer PCB from chromophorylated CpcA to PecA, and even to apo-phytochrome AphA [13] Addition of the CpcE⁄ F complex to a-CPC alters its absorption and dramatic-ally reduces the fluorescence yield, no such changes are seen with b-CPC [27]

Enzymes catalysing the biosynthesis of PCB (haem oxygenase and biliverdin reductase) were introduced together with the lyase (CpeE⁄ F) and CpcA into

E colito generate a-CPC [24]

There is currently no structure known for any of the biliprotein lyases CpcE and CpcF from different spe-cies show up to 60% identities, while they are only 20–40% homologous with other enzymes that are known or suggested as lyase for phycobilin addition, such as PecE and PecF [9], CpeY and CpeZ [21] The current study was initiated by the finding of conserved motifs in alignments among lyases from different species [28] We report truncations, site-directed muta-tions and chemical modificamuta-tions which were guided by such sequence comparisons, and propose a model of action that involves transient covalent binding of the chromophore to the lyase

Results

Expression and purification of wild-type and mutant enzymes

Full-length and truncated CpcE and CpcF proteins were expressed with N-terminal His- and S-tags using the pET-30a vector The proteins were generally well soluble (unlike those from Anabaena sp PCC 7120 [13]), and the yield of extracted protein was > 70%

An exception was CpcF(1–160) which tended to precipitate (see below) The tags interfere with neither the functions of the lyase (CpcE⁄ F), nor with the reactivity of the apoprotein (CpcA), but they facilitate protein purification and improve their solubilities [13,17,18] After expression in E coli, full-length CpcE, CpcF, and their mutants were purified and quantified by the Bradford method, and then their

experiments

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Mutation of CpcE and CpcF

The enzyme activities of the mutated subunits are

com-pared with those of the wild-type subunits in Table 1,

they were quantified by the fluorescence emission of

chromophorylated CpcA at 640 nm [23] In these tests,

a mutated subunit was always combined with the

full-length complementary one As mutations may affect

the interactions among subunits, all enzyme activities

of CpcE and CpcF were measured as before [28] in

three ways: with the nonpurified proteins (supernatants

of the disrupted E coli), with the subunits purified via

Ni2+ affinity chromatography, and with the purified

subunits which were first denatured together with the

full-length complementary one in 8 m urea and then

slowly corenatured by dialysis against urea-free buffer

(20 mm KPB, 0.5 m NaCl, pH 7.2) The individual

subunits, CpcE or CpcF, did not show any enzyme

activities, in agreement with previous studies using

Synechococcussp PCC 7002 [23] The full-length lyase

showed highest activity when purified CpcE (276

resi-dues) and CpcF (213 resiresi-dues) were renatured jointly

in a 1 : 1 mixture from 8 m urea

For CpcE(1–272) and CpcE(L275D), the

superna-tants showed higher activities than the purified

proteins, which may be due to the deletion and

site-directed mutation that affect the interaction among

the subunits, or some unknown factors in E coli

CpcE(1–274) corenatured with CpcF showed some-what higher activity than the supernatants and purified forms, indicating that the function lost by deletion of the two amino acids could be improved by CpcF The mutants were constructed according to a sequence comparison of PCB:CpcA lyases The N-ter-minal motif shown in Fig 1A is highly conserved in CpcE and PecE, therefore the truncated CpcE(42–276) was constructed to delete the motif Similarly, the truncation CpcE(1–272) was generated to remove the highly conserved C-terminal motif (i.e DSLL, in Fig 1B) In CpcE, deletion of 41 amino acids at the N terminus [CpcE(42–276)] and 39 amino acids at C ter-minus (CpcE(1–237)) abolished the enzymatic activity

If judged from the Ni2+-column binding assay (see Experimental procedures) using bound His-tagged CpcF as a bait, CpcE(1–237) has lost the ability to form a complex with CpcF (data not shown), indica-ting that the amino acids in the region 238–276 are involved in the interaction of the two subunits CpcE(1–272) had only 17–28% activity of the wild-type This activity is retained if two more amino acids were removed in CpcE(1–272), but only if this subunit was not corenatured with CpcF Possibly, the deletion interferes with the refolding of CpcE Replacement of the conserved leucine-275 with the polar aspartate in CpcE(L275D) resulted only in a moderate decrease of activity Kinetic studies (Table 2) showed that the Km

Table 1 Comparisons of relative enzymatic activities of CpcE ⁄ F and their mutants, of covalent binding of PCB to CpcE and CpcF, and of their capacity for transferring PCB All test were done under standard reconstitution conditions, with the omissions of specific components given in the headings and footnotes.

Lyase subunits

Relative lyase activity [%]a

Subunit bound PCB b [%]

Yield of a-CPC [l M ] from PCB transfer c,d

PCB transfer [%] c

Non-purified Purified Co- renatured

CpcF(10–213) + CpcE 0 26 21 7.4 0.044 (0.038) 20

CpcE(1–272) + CpcF 29 21 0 10.8 0.072 (0.049) 33

CpcE(1–274) + CpcF 17 22 28 9.6 0.077 (0.061) 35

CpcE(L275D) + CpcF 81 65 65 9.0 0.14 (0.12) 64

CpcE(L276D) + CpcF 22 27 38 10.6 0.061 (0.061) 28

CpcF(I9K) + CpcE 100 100 100 6.6 0.099 (0.094) 45

(CpcE + CpcF) 100 100 120 11.0 0.16 (0.16) 73

a Purified CpcE ⁄ F ¼ 100% b No CpcA added, otherwise identical conditions as for reconstitutions Yields are given with respect to the con-centrations of CpcE or CpcF (5 l M ), the concentration of PCB was 10 l M c No PCB added, otherwise identical conditions as for reconstitu-tions d Values in parentheses are controls with added extra CpcE (5 l M ) and CpcF (5l M ) to test for free PCB; compared with the fluorescence brightness of the band on the Zn 2+ SDS ⁄ PAGE, the lyase and mutants in these tests had 0.22 l M PCB bound e CpcF(1–160) has very low solubility, so PCB binding to the lyase could not be evaluated.

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value increased by 61% and that kcat⁄ Km decreased

by 32% The same replacement at the neighbouring

position L276, had much more drastic effects The

activity of CpcE(L276D) decreased fourfold, the Km

increased nearly eightfold, and kcat⁄ Km decreased by

almost two orders of magnitude Obviously, L276 is a

critical residue, likely to be involved in the substrate affinity

The truncated protein CpcF(20–213) was generated upon removal of the first ATG serving as initiation site, because there is a second ATG 60 bases down-stream This product was inactive, in spite of a large degree of heterogeneity in the N-terminal region among the different lyases Therefore, the truncation mutant CpcF(10–213) was generated in order to investigate this region more closely CpcF(10–213) only lost activity in the supernatant form When purified and corenatured, the mutant showed 26% and 21% enzyme activity, respectively, indicating that amino acids 1–9 in CpcF are only moderately relevant for the activity In this region, only I9 shows high homology with other lyases However, the activity of the mutant CpcF(I9K) did not show any changes, which was veri-fied by kinetic studies (Table 2) The C-terminally truncated CpcF(1–160) was mostly deposited in inclu-sion bodies (Fig 2B), and the soluble fraction of this mutant has lost activity It was partly regained, how-ever, when it was corenatured with CpcE, indicating that the 53 amino acids in the C-terminal region of CpcF are important for CpcF folding

PCB binding to CpcE and CpcF Work with the isomerizing lyase, PecE⁄ F, had indica-ted that the chromophore is bound transiently to the lyase [28] Such binding was investigated now in more detail with CpcE⁄ F Wild-type and mutant proteins of CpcE, CpcF and their 1 : 1 complexes were incubated with PCB under reconstitution conditions, but omit-ting the acceptor, CpcA They were then re-purified using a Ni2+ affinity column, where unbound PCB was removed in the 1 m NaCl wash step, and dialysed against KPB (pH 7.2) The absorption spectra of these fractions under native (Fig 3A), and denaturing conditions (Fig 3B) showed that PCB could be bound

by CpcE, CpcF, the CpcE⁄ F complex, and also by their mutants (data not shown) Obviously, binding is strong enough to retain the chromophore under the

Fig 1 (A, B) Comparison of conserved N- and C-terminal domains

in CpcE and PecE from different organisms, and (C) of N-terminal

amino acids in CpcF and PecF CLUSTAL W (1.8) multiple sequence

alignment method was used The number in front of the sequence

gives the accession code of the protein sequence in the Swiss-port

database (A, B) CpcE Query: M laminosus PCC7603 (acc no.

AF506031, protein id AAM69288.2, note that the sequence has

been updated on 12.7.2005); compared to CpcE from Anabaena sp.

PCC7120 (PO7125); Fremyella diplosiphon PCC7601 (P07126);

Pseudanabaena sp PCC7409 (Q52448); Synechococcus sp.

PCC7002 (P31967); Synechocystis sp PCC6803 (P73638);

Syn-echococcus elongatus (P50037), and to PecE of Anabaena sp.

PCC7120 (P35791); and M laminosus PCC7603 (P29729) (C)

Query: CpcF from M laminosus PCC7603 (accession number.

AF506031, protein i.d AAM69289.2, note that the sequence has

been updated on 12.7.2005) compared to CpcF from Anabaena sp.

PCC7120 (P29985; Synechococcus sp PCC7002 (P31968);

Syn-echocystis sp PCC6803 (P72652); Synechococcus sp PCC7942

(Q44116); Pseudanabaena sp PCC7409 (Q52449); Synechococcus

elongatus (P50038) and to PecF of M laminosus PCC7603

(P29730).

Table 2 Kinetic analyses for the wild-type lyases and site-directed mutants.

Enzyme K M [l M ]

vmax [p M S)1]

kcat [s)1]

kcat⁄ K M

[s)1Æl M )1]

Wild-type 0.38 ± 0.06 6.3 ± 0.5 1.3 · 10)3 3.4 · 10)3 CpcF(I9K) 0.41 ± 0.08 6.5 ± 0.6 1.3 · 10)3 3.2 · 10)3 CpcE(L275D) 0.61 ± 0.05 6.8 ± 1.2 1.4 · 10)3 2.3 · 10)3 CpcE(L276D) 2.94 ± 0.64 0.61 ± 0.04 1.2 · 10)4 4.1 · 10)5

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high ionic strength conditions (1 m NaCl) used during

chromatography Covalent binding was supported by

the following observations: (a) denaturation with acidic

urea (8 m, pH 2.0) caused a loss of the distinct peak

at  650 nm on top of a broad background band

> 600 nm The 650-nm peak, on top of a broad

absorption, was recovered in 40–70% yield when the

urea was dialysed out again, with the losses probably

due to irreversible oxidation or denaturation Band

narrowing and absorption increase are characteristic

for chromophores bound to specific sites in native

bili-proteins, which are reversibly lost upon uncoupling of

the chromophore by denaturation of the protein [4,8]

The reversible loss of the distinct peak in

chromo-phore-treated CpcE⁄ F is reminiscent of such changes;

(b) the small absorption decrease upon denaturation,

the relatively broad background in Fig 3 extending

well beyond 700 nm, and the absence of fluorescence

(see below) indicate, however, a less tight coupling

between protein and chromophore, and a

conforma-tional heterogeneity of the latter This binding

situation is rather different from the well-defined one

typical for phycocyanin and phytochromes [6,29,30];

(c) PCB remained bound to the protein during

SDS⁄ PAGE, as shown by Zn2+-staining [31], even

though the amount is small when compared to the

fluorescence intensity of a CPC control (Fig 3D,

Table 1)

Transfer of enzyme-bound chromophore to CpcA PCB bound to CpcE or CpcF has very low fluores-cence (Fig 4C) This opened a way to test for the transfer of enzyme-bound chromophore to the final acceptor, CpcA, because the product, a-CPC, is strongly fluorescent CpcA was incubated, under stand-ard reconstitution conditions, but in the absence of free PCB, with an aliquot of the samples shown in Fig 3A, which induced the fluorescence typical for a-CPC (Fig 4C) Obviously, bound PCB could be transferred from the lyase to CpcA to give the correct product, a-CPC As shown in Table 1, this capacity roughly parallels the enzymatic activities of the lyase and its mutants, indicating that the capacity of the lyase to transiently bind and subsequently transfer PCB is part of its enzymatic activity

This is supported by another observation When PCB, CpcA, CpcE and CpcF were added simulta-neously in the reconstitution system, there is generally

a by-product obtained with maximum absorption at

640 nm and fluorescence at 660 nm, which arises from

a spontaneous, nonenzymatic reaction [9,16,17] Its formation depends on the amount of PCB added, and

is particularly pronounced at higher concentrations (Fig 4A) If, however, PCB (0.05–1 lm, i.e substo-ichiometric amounts with respect to the lyase) was first incubated with CpcE (0.8 lm) and CpcF (0.8 lm) for

1 h, and then CpcA (5 lm) was added, no such non-natural PCB-CpcA adduct was detectable even at high PCB concentrations (Fig 4B) Obviously, the nonenzy-matic reaction was inhibited when PCB was preincu-bated with the lyase This nonenzymatic reaction was restored when CpcE and CpcF mutants were used that lost the transfer ability It is therefore concluded that binding of PCB by the lyase during the preincubation period inhibits the side reaction

Chemical modifications of amino acids Arginine modification by 1,2-cyclohexanedione (CHD) and phenylglyoxal (PGO) [32] resulted in inactivation

of CpcE but not of CpcF (supplementary material Fig S1A and B) The semilogarithmic plots of remain-ing activity against reaction time are linear, indicatremain-ing that the inactivations followed pseudo-first-order kinet-ics Second-order rate constants of 0.1 ± 0.02 and 0.7 ± 0.09 mm)1Æmin)1 were obtained from the linear plots of the first-order rate constants of inactivation against modifier concentrations, for the reactions with CHD and PGO, respectively The numbers of modified residues were obtained from plots of log(1⁄ t0.5) against log[PGO] or log[CHD] They resulted in straight lines

A

B

Fig 2 SDS ⁄ PAGE of Ni 2+ affinity column purified mutant proteins.

Lane assignments: (A) M, protein marker; 1, CpcE(42–276); 2,

CpcE(L275D); 3, CpcE(1–274); 4, CpcE(1–237); 5, CpcE(1–272); 6,

CpcE(L276D); (B) M, protein marker; 1, CpcF(10–213); 2, CpcF(21–

213); 3, CpcF(I9K); 4, CpcF(1–160); 5, CpcF(1–160) purified from

inclusion bodies The last mutant was poorly soluble, when

corena-tured with CpcE, it showed a little activity (see text) The different

mobilities irrespective of the similar sizes of CpcE(42–276) and

CpcE(1–237) were reproducible.

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with slopes 1.09 and 0.89, respectively; it is therefore

concluded that one accessible arginine residue is

required for the catalytic activity of CpcE The

modifi-cations may affect the lyase activity by interfering with the interactions of CpcE and CpcF This was tested by binding His-tagged CpcF to the Ni2+ affinity column,

800 750 700 650

0

100

200

300

400

A

1 M PCB 0.5 M PCB

Wavelength [nm]

B

800 750 700 650 Wavelength [nm]

100 200 300 400

0

C

800 750 700 650 Wavelength [nm]

0 5 10 15

After Before

Fig 4 (A) Fluorescence analysis of PCB transfer from CpcE ⁄ F to apo-CpcAA: PCB, CpcE (0.8 l M ), CpcF (0.8 l M ) and CpcA (5 l M ) added together at the same time, and then incubated for 1.5 h (B) PCB was first incubated with CpcE (0.8 l M ) and CpcF (0.8 l M ) for 1 h, then CpcA (5 l M ) was added, and the sample incubated for another 1.5 h; PCB concentrations in (A) and (B): 0.05 l M (—); 0.1 l M (— —); 0.3 l M

(– –); 0 5 l M (– ÆÆ -); 0.8 l M (– Æ– Æ); 1 l M (ÆÆÆÆ) (C) Fluorescence emission of PCB bound to CpcE ⁄ F (– –), and after adding CpcA to the system (—) All reactions were carried out under standard reconstitution conditions, see Experimental procedures for more details.

C

B A

D

Fig 3 Binding of PCB to wild-type CpcE, CpcF and CpcE ⁄ F (A) Absorption spectra after incubation of the proteins indicated by the labels (all 10 l M ) with PCB (10 l M ) under reconstitution conditions (37 C, 1 h), subsequent purification by Ni 2+

affinity column to remove unbound PCB, and by dialysis against KPB (pH 7.2), 12 h, in the dark (B) Absorption spectra of the same solutions after addition of 8 M acidic urea (pH 2) (C) Absorption spectra after subsequent renaturation from 8 M acidic urea (pH 2.0) by dialysis against KPB buffer (pH 7.2) See Experimental procedures for details (D) SDS⁄ PAGE of proteins with bound PCB chromophore Lane assignments: M, protein marker; 1, CPC; 2, Histag-CpcE; 3, Histag-CpcF treated with PCB (Coomassie blue stain); 4, CPC; 5, Histag-CpcE; 6, Histag-CpcF treated with PCB (Zn 2+ -induced fluorescence).

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and analysing for a retention of untagged CpcE by

SDS⁄ PAGE (Fig 5) and by activity assays According

to this criterion, the inactivating arginine modification

did not interfere with complex formation between the

two subunits, but reduced the enzymatic activity

(Fig S1)

Lysine residues were modified with

pyridoxal-5’-phosphate (PLP) [33] Treatment of CpcE and CpcF

with an excess of the reagent for 30 min resulted only

in minor activity changes (96–98% versus control),

indicating that none of the accessible lysines in CpcE

and CpcF are required for the catalytic activity

Carboxyl groups were modified with

1-ethyl-3-[3-(dimethylamino)propyl] carbodiimide (EDAC) [34],

resulting in inactivation of CpcF, but not of CpcE

(Fig S2) The semilogarithmic plots of remaining

activity against reaction time are linear, indicating

that the inactivations followed pseudo-first-order

kinetics A second-order rate constants of 0.6 ±

0.06 mm)1Æmin)1 was obtained from the linear plots

of the first-order rate constants of inactivation against

modifier concentrations The numbers of modified

res-idues were obtained from plots of log(1⁄ t0.5) against

log[EDAC], they resulted in straight lines with slopes

0.65 for the reactions with EDAC It is concluded

that one accessible carboxyl group is required for the

catalytic activity of CpcF This modification also did

not affect the complex formation of CpcE and CpcF

(Fig 5)

Tryptophan residues were modified by

N-bromosuc-cinimide (NBS) [35], it only affected the activity of

CpcE There was a gradual decrease of activity, which

was analysed for the number of critical residues, i, by

the statistical method of Tsou [36] The data can be

fitted to a straight line with i¼ 1 (Fig S3), suggesting

that a single accessible tryptophan residue is

crit-ical for the activity of CpcE This modification of

CpcE did not affect complex formation with CpcE (Fig 5)

Histidine residues of CpcE were modified by DEPC [37], there is no histidine in CpcF of M laminosus In this case, untagged CpcE was used that was purified via ion-exchange column [28] DEPC had no effect on the activity of CpcE, even through all three histidine residues in CpcE were modified, as determined from the absorption increase at 242 nm [28]

Cysteine residues were modified by p-chloromercuri-phenylsulfonic acid (PCMS) and iodoacetic acid (IAA) [38] Reactions were carried out in KPB buffer con-taining 6 m urea in two ways: Either CpcE and CpcF were modified separately, or the CpcE⁄ F complex was modified In case of individual treatments, the treated subunit was combined with the complementary before they were corenatured PCMS had no effect on CpcE and reduced the activity of CpcF only slightly to 78% When CpcE and CpcF were modified together with PCMS, the activity still was 82% When IAA was used, as a more specific thiol reagent, to separately modify CpcE and CpcF, there were again only moder-ate losses of activity to 80% and 67%, respectively However, when they were treated together, the activity was reduced to 16% It is likely from these data, that accessible cysteine residues in both CpcE and CpcF play a role in the reaction, but are not essential There

is no evidence that complex formation of CpcE and F involves an intersubunit disulfide bridge In the Ni2+ -affinity assay, the untagged subunit can always be removed by extensive washing, and at low concentra-tions the complex also dissociates during gel filtration (Superdex 200)

Neither this nor any of the other modifications dis-cussed below produced significant changes in the

far-UV CD-spectra (data not shown); according to this criterion the secondary structure (mainly a-helix) was retained after the modifications

Discussion

CpcE and CpcF, the two subunits of PCB:CpcA lyase, are involved in the PCB attachment to a-CPC at C84 [23] There are eight different pairs of CpcE⁄ F of known sequence, they show large regions of high homology [39–41] The enzymology has been studied

of CpcE⁄ F from Synechococcus sp PCC7002 [23,27], but the amino acids that play a role in PCB attach-ment are not yet clear Also the bifunctional lyase, PecE⁄ F, is homologous with CpcE ⁄ F, and some char-acteristic motifs were identified that distinguish in par-ticular the F-subunits of the former and the latter [28] CpcF lacks, for example, the four contiguous histidines

Fig 5 Effect of chemical modifier on the formation of CpcE or

CpcF complex SDS-containing gels of the fractions eluted with

500 m M imidazole from the Ni 2+ -chrelating columns (see

Experi-mental procedures for details) Lane assignments: M, protein

marker; 1, CpcE (modified by CHD) with His-tag-CpcF; 2, CpcE

(modified by PGO) with His-tag-CpcF; 3, CpcE (modified by NBS)

with His-tag-CpcF; 4, CpcE with His-tag-CpcF (modified by EDAC);

5, CpcE with His-tag-CpcF (modified by IAA).

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of PecF, which caused a moderately strong binding to

the Ni2+ affinity column and interferes with mutual

binding assays using one His-tagged partner Complex

formation of CpcE with CpcF, and PCB binding to

them, could therefore be analysed with more

confid-ence than for PecE⁄ F, using Ni2+ affinity

chromato-graphy Also, the amounts of PCB bound by CpcE,

CpcF and their mutants were larger than with PecE,

PecF and their mutants, thus facilitating the

quantita-tive analyses of PCB bound by CpcE, CpcF

Several interesting N- and C-terminal motifs were

noted when comparing the sequences PecE and PecF

with those of CpcE and CpcF (Fig 1) For CpcE,

both the N and C termini have conserved regions

When the motif R33YYAAWWL near the N terminus

was deleted (CpcE(41–273)), the enzyme lost its

activ-ity completely A 39-amino acid C-terminal truncation

in CpcE also rendered the protein inactive; it also

nearly lost the ability to form a complex (data not

shown), indicating that this region is involved in the

D273SLL was removed in CpcE(1–272), there was still

some activity left, but the mutant lost activity when

CpcE(1–272) was denatured and corenatured with

CpcF, indicating irreversible unfolding If the two

resi-dues D273 and S274 were maintained, the enzyme still

had 28% relative activity: site-directed mutations of

the two leucines (L275D, L276D) reduced the enzyme

activity only moderately to 65% and 27%,

respect-ively; these mutations also reduced the substrate

affin-ity (Table 2) These regions were also important for

PecE⁄ F lyase-isomerase activity; truncations rendered

the enzyme inactive but did not affect the stability of

the proteins [28]

The C terminus of CpcF shows only little homology

for as much as 50 amino acids A truncation by 53

amino acids reduced the solubility of the protein,

pos-sibly due to misfolding, and most of the protein was

deposited in E coli as inclusion bodies Only 18%

rel-ative activity was recovered by solubilization with urea

(8 m) and corenaturation with CpcE, indicating that

interaction with CpcE aided the re-folding The N

ter-minus of CpcF showed more homology: a 10 amino

acid truncation reduced the activity to 26%, and it

was lost completely when 20 amino acids were

trun-cated Among the 10 N-terminal amino acids, I9 is

highly conserved among different CpcF, but its

muta-tion to lysine resulted in no marked change of the

enzyme activity (Table 2)

There are four cysteines in CpcE and three in CpcF,

of which only C99 of CpcE is highly conserved In

reconstitution experiments in vitro, reducing reagents

such as mercaptoethanol or dithiothreitol were not

required for enzyme activity, indicating that no disul-fides are present that interfere with the enzymatic activ-ity While the thiol group modification using PCMS proved ineffective, a more complex picture was obtained from modification with IAA When only one of the sub-units was modified, the enzyme activity was retained, but modification of both subunits, CpcE and CpcF, in

6 m urea reduced the activity to 16% These modifica-tions were done in 6 m urea to reach otherwise inaccess-ible cysteins, and the protein subsequently renatured They did not interfere noticeably with PCB binding, IAA therefore modifies residues that are otherwise involved in the catalytic activity (e.g PCB transfer) Both CpcE and CpcF bind PCB, as evidenced by absorption spectroscopy and chromatographic separ-ation from unbound chromophore This binding is only moderately strong and reversible, as judged from the low amount of chromophore found on the SDS⁄ PAGE purified proteins (Fig 3D) Covalent chromo-phore binding, albeit even weaker than with CpcE⁄ F, has also been reported for PecE⁄ F In the latter case, PCB bound to the enzyme was neither transferred to PecA to form the PCB adduct, nor transferred and concomitantly isomerized to PVB By contrast, chro-mophore transfer from CpcE⁄ F to CpcA could now be demonstrated Furthermore, in mutants this transfer correlated with their lyase activities (Table 1) In com-bination, these results are evidence for a transient chromophore binding to the enzyme as part of the cat-alytic reaction A chaperone function of a-84 lyases had been suggested before as (at least part of) the en-zymatic activity of a-84 lyases [17,42] The absorption spectral changes of PCB upon binding to CpcE⁄ F are indicative of a conformational change, but at the same time indicate that the chromophore conformation is less restricted not yet extended as it is in a-CPC The lack of an intense fluorescence further suggests that the chromophore retains flexibility upon binding [29], which further supports a comparably weak binding, in

a conformation that is intermediate between the cyclic one of the free chromophore, and its extended, rigid conformation in the a-CPC binding site

There are 19 arginines, 13 lysines, three histidines and two tryptophans in CpcE, and 13 lysines, 10 argi-nines, one tryptophan and no histidine in CpcF According to chemical modification of these residues, only one accessible arginine and one tryptophan is involved in CpcE function, and one carboxyl group CpcF In the bifunctional lyase, PecE⁄ F, a consider-ably larger number of critical amino acid residues have been identified by the same methods An additional histidine is required in the PecE subunit, and one tryp-tophan, one cysteine and one histidine in PecF [28] Of

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the latter, C121 and H122 are located in a region that

has been related to the lyase function The only critical

residue that is missing in the isomerizing lyase, is the

essential carboxyl group in CpcF This may be related

to the chromophore transfer capacity of CpcE⁄ F,

which is lacking in PecE⁄ F Because the optimal pH

for CpcE⁄ F is 7.5–8.0, the carboxyl group in CpcF is

expected to be present as a carboxylate anion Since

the native PCB chromophore is protonated [43–45], a

possible scenario is the formation of a salt-bridge

between the carboxylate anion in CpcF and the

proto-nated PCB, but this working hypothesis remains to be

tested An alternative function for the carboxylate, i.e

an intermolecular salt bridge with the essential Arg in

CpcE, is not supported in view of the fact that the

modification of the carboxyl of CpcF did not inhibit

the CpcE⁄ F complex formation (Fig 5)

In summary, the two types of homologous lyases

show some common features (heterodimeric complex,

catalysis of attachment of phycobilin at C84 of

a-sub-unit), but they differ in the manipulation of the

chromo-phore not only by the isomerase capacity of PecE⁄ F

that is lacking in CpcE⁄ F, but also in the chromophore

transfer capacity that is present in CpcE⁄ F, but absent

in PecE⁄ F Several residues have been identified that

relate to the different functions However, a general

cat-alytic model is still lacking Investigations of the new

class of distantly related lyases recently identified are

expected to further clarify the molecular basis of the

variability and specificities of this class of enzymes

Experimental procedures

Materials and reagents

1,2-cyclohexanedione, PGO, NBS, PCMS and IAA were

from Sigma (Beijing, P.R.C.); diethylpyrocarbonate

(DEPC), PLP and EDAC were from Fluka (Beijing,

P.R.C.) All other biochemicals and separation materials

were of the highest purity available and obtained from the

sources described previously [9,18] Recombinant proteins

were purified as before [13]

Full-length proteins

Cloning and expression followed the standard procedures

of Sambrook et al [46] The integral genes cpcA, cpcE and

cpcF were PCR-amplified from M laminosus PCC7603

They were cloned first into pBluescript SK(+) (Stratagene,

Shanghai, P.R.C.), and then subcloned into pET-30a

(Nov-agen, Munich, Germany) Proteins without His- and S-tags

were obtained by expressing pGEMEX containing the

desired DNA [9]

Deletion and site-directed mutants

Truncated and site-directed mutants were prepared by

P1: 5¢-TGTCCCGGGGCATTGGTCATGACAGAAGCA-3¢, upstream; P2: 5¢-GGGCTCGAGCGGCAATTAAAGTGG GAAT-3¢, downstream; P3: 5¢-ATACCCGGGATACTCCT GACCATGACTGC-3¢, upstream; P4: 5¢-ACCCTCGAGT

5¢-ATGCCCGGGGGTAAGTTTCGCGTTCG-3¢, upstream; P6: 5¢-GGGCTCGAGTTACATCAAATTCATGACTCG-3¢,

GAATCCA-3¢, downstream; P8: 5¢-ACCCTCGAGTTATT TTCTACCTTGGCCAGC-3¢, downstream; P9: 5¢-TGTCC CGGGCAAATGACAGCAGCTGTA-3¢, upstream; P10: 5¢-AAACCCGGGCGCAGTGTAGCTGAAG-3¢, upstream; P11: 5¢-CCCCTCGAGCCCTTAAATTGGTTGTTGTA-3¢, downstream; P12: 5¢-ATACCCGGGATGACTGCCACTA CTCAACAATTAAAACGT-3¢, upstream; P13: 5¢-GGGCT CGAGCGGCGCTTACAAATCTGAATC-3¢, downstream, P14: 5¢-AGCCTCGAGCGCCTAGTCAAGTGAATCCAT CA-3¢, downstream

All upstream primers have a SmaI site (CCCGGG) and the downstream primers have a XhoI site (CTCGAG), which ensure correct ligation of the fragments to pBlue-script

P1 and P2 were used to generate the full-length cpcE, P3 and P4 for full-length cpcF, P5 and P2 for cpcE(42–276), P1 and P6 for cpcE(1–272), P1 and P7 for cpcE(1–274), P1 and P8 for cpcE(1–237), P9 and P4 for cpcF(21–213), P10 and P4 for cpcF(10–213), P3 and P11 for cpcF(1–160), P12 and P4 for cpcF(I9K), P1 and P13 for cpcE(L275D), P1 and P14 for cpcE(L276D), In P12, P13 and P14, the site-directed mutations are underlined All mutations were verified by sequencing

Expressions

The pET-based plasmids were used to transform E coli BL21 (DE3) Cells were grown at 37C in Luria–Bertani medium containing kanamycin (30 lgÆml)1) When the cell density reached OD600¼ 0.5–0.7, isopropyl-thio-b-dgal-actopyranoside (1 mm) was added 5 h after induction, cells were collected by centrifugation, washed twice with double-distilled water, and stored at )20 C until use CpcA, CpcE, CpcF of M laminosus and all mutants were pre-pared using the methods described previously [18,47]

SDS/PAGE

SDS⁄ PAGE was performed with the buffer system of Lae-mmli [48] The gels were stained with zinc acetate for bilin chromophores [31] and with Coomassie brilliant blue R for the protein The UV-induced fluorescence of protein-bound

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bilins was recorded digitally with a camera The amounts

of bilins bound by lyases and their mutants were

quantita-tively evaluated by comparing their scanned fluorescence

intensity to that of a standard, i.e CPC, on the same

SDS⁄ PAGE, using photoshop 6.0 (Adobe, San Jose, CA,

USA)

Spectroscopy

Enzyme reactions and amino acid modifications were

followed by UV-visible spectrophotometry (Perkin-Elmer

model Lamda 25) and fluorimetry (Perkin-Elmer LS55)

The formation of chromophorylated-a-CPC was detected

by the emission at 640 nm Far-uv CD spectra were

recor-ded at 25C with a Dichrograph VI (ISA, Jobin Yvon,

Munich, Germany) using 1 mm cuvettes, five spectra were

averaged and the data smoothed by 5-point averaging

PCB and protein concentration determinations

PCB was prepared as described before [18] PCB

concentra-tions were determined spectroscopically in methanol⁄ 2%

HCl using e690¼ 37 900 m-1

Æcm-1 [18] Protein concentra-tions were determined according to [49] using the protein

assay reagent (Bio-Rad, Munich, Germany) according to

the manufacturer’s instructions with BSA as standard

Con-centrations of overexpressed proteins in crude extract were

determined by first assaying the total protein content by the

Bradford method, and then the relative amount (%) by

SDS⁄ PAGE

Phycobiliproteins

CPC and a-CPC from M laminosus were prepared as

before [17]

Lyase activity assay

Chromophore reconstitution with CpcA was assayed as

des-cribed before [27] Either full-length CpcE was

comple-mented with mutants of CpcF, or full-length CpcF was

complemented with mutants of CpcE, using the following

standard reaction conditions: potassium phosphate buffer

(KPB, 15–20 mm, pH 7.2) containing NaCl (150–200 mm),

MgCl2 (5 mm), CpcE and CpcF or their mutants (5 lm

each), and His6-CpcA (5 lm) PCB (final concentration,

5 lm unless stated otherwise) was added as a concentrated

dimethylsulfoxide solution; the final concentration of

dimethylsulfoxide was 1% (v⁄ v) The mixture was incubated

at 37C for 1 h in the dark Products were quantified by

fluorescence emission at 640 nm [27] The lyase reactions

were carried out with three different preparations of each

His-tagged CpcE, CpcF and their mutants: (1) nonpurified

proteins, i.e the supernatants of the sonicated cells after

centrifugation; (2) proteins purified by Ni2+chelating affin-ity chromatography as before [18]; (3) corenatured proteins, which were obtained by the following procedure: purified CpcE (or its mutants) and purified CpcF (or its mutants) were denatured separately with urea (8 m) at room tempera-ture They were then mixed in equimolar amounts (5 lm) and renatured slowly by repeated dialysis against KPB (20 mm, pH 7.2) containing NaCl (0.5 m) at 4C for 4 h For kinetic tests, only purified proteins were used Either full-length CpcE was complemented with mutants of CpcF,

or full-length CpcF was complemented with mutants of CpcE The purified subunits (5 lm), CpcA (5 lm) and differ-ent concdiffer-entrations of chromophore substrate, PCB, were mixed in the reconstitution system (see above) and incubated

at 20C At regular time intervals, the reaction was termin-ated by rapidly cooling the samples on ice to 0C, then the product was quantified by the fluorescence emission at

640 nm The fluorescence was calibrated with a solution of a-CPC of known concentration Km, vmax and kcat were calculated from Lineweaver–Burk plots, using origin v6 (Origin Laboratory Corporation, Northampton, MA, USA)

PCB binding to CpcE and CpcF

A mixture of CpcE and CpcF (1 : 1), individual subunits,

or their mutants was incubated in the reconstitution system,

as described above, but using twice the standard concentra-tion of PCB (10 lm) and omitting CpcA The products were purified by Ni2+chelating chromatography, and ana-lysed by absorption spectroscopy (300–800 nm), and by SDS⁄ PAGE using Zn2+staining [31] and Coomassie brilli-ant blue staining

To check if bound PCB could be transferred to CpcA, the lyase CpcE⁄ F with bound PCB was first purified by Ni2+

affinity chromatography to remove free PCB, and then dia-lysed against KPB (20 mm, pH 7.2) containing NaCl (0.5 m)

at 4C for 12 h in the dark The sample that has been freed

of PCB was divided into three parts The first part of the sample was denatured with 8 m acidic urea (pH 2.0), and its absorption spectrum recorded Then the sample was rena-tured against KPB (20 mm, pH 7.2) containing NaCl (0.5 m), and the absorption recorded again The second part

of the sample was mixed with CpcA (one or both lyase sub-units added when needed), and Mg2+(5 mm), and incubated

at 37C for 1.5 h Then, fluorescence emission at 640 nm was measured as described above The third part was ana-lysed by SDS⁄ PAGE using Zn2+ and Coomassie brilliant blue staining as described above

Complex formation of CpcE and CpcF

Purified His-tagged CpcE or its mutants were corenatured (see Lyase activity assay) with untagged CpcF The mix-tures were then loaded on a Ni2+ column, washed three

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