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Zenk1 1 Biozentrum-Pharmazie, Universita¨t Halle, Halle/Saale, Germany;2Lehrstuhl fu¨r Organische Chemie und Biochemie, Technische Universita¨t Mu¨nchen, Garching, Germany;3Laboratorium

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Studies on the nonmevalonate pathway of terpene biosynthesis

Monika Fellermeier1, Maja Raschke1, Silvia Sagner1, Juraithip Wungsintaweekul2, Christoph A Schuhr2, Stefan Hecht2, Klaus Kis2, Tanja Radykewicz2, Petra Adam2, Felix Rohdich2, Wolfgang Eisenreich2,

Adelbert Bacher2, Duilio Arigoni3and Meinhart H Zenk1

1 Biozentrum-Pharmazie, Universita¨t Halle, Halle/Saale, Germany;2Lehrstuhl fu¨r Organische Chemie und Biochemie, Technische Universita¨t Mu¨nchen, Garching, Germany;3Laboratorium fu¨r Organische Chemie, Eidgeno¨ssische Technische Hochschule Ho¨nggerberg, Zu¨rich, Switzerland

2C-Methyl-D-erythritol 2,4-cyclodiphosphate was recently

shown to be formed from 2C-methyl-D-erythritol

4-phos-phate by the consecutive action of IspD, IspE, and IspF

proteins in the nonmevalonate pathway of terpenoid

biosynthesis To complement previous work with

radio-labelled precursors, we have now demonstrated that

[U-13C5]2C-methyl-D-erythritol 4-phosphate affords

[U-13C5]2C-methyl-D-erythritol 2,4-cyclodiphosphate in

isolated chromoplasts of Capsicum annuum and Narcissus

pseudonarcissus Moreover, chromoplasts are shown to

efficiently convert 2C-methyl-D-erythritol 4-phosphate as

well as 2C-methyl-D-erythritol 2,4-cyclodiphosphate into

the carotene precursor phytoene The bulk of the kinetic data

collected in competition experiments with radiolabeled

substrates is consistent with the notion that the cyclodipho-sphate is an obligatory intermediate in the nonmevalonate pathway to terpenes Studies with [2,20-13C2

]2C-methyl-D-erythritol 2,4-cyclodiphosphate afforded phytoene characterized by pairs of jointly transferred 13C atoms in the positions 17/1, 18/5, 19/9, and 20/13 and, at a lower abundance, in positions 16/1, 4/5, 8/9, and 12/13 A detailed scheme is presented for correlating the observed partial scrambling of label with the known lack of fidelity of the isopentenyl diphosphate/dimethylethyl diphosphate isomerase

Keywords: nonmevalonate pathway; terpene; chromoplasts; 2C-methyl-D-erythritol 2; 4-cyclodiphosphate

For a period of several decades, the mevalonate pathway

elucidated in animal cells and yeast by the studies of Bloch,

Cornforth and Lynen has been considered as the universal

source of isoprenoid precursors for the biosynthesis of

terpenoids (reviewed in [1 – 4]) In recent years, a second

pathway was discovered in certain eubacteria and plants by

the research groups of Rohmer and Arigoni (reviewed in [5 –

7]) Specifically, the incorporation of 13C-labeled acetate

and glucose in bacteria such as Rhodopseudomonas

palustris [8] and Escherichia coli [9], as well as in plants

[10] suggested a triose and pyruvate as precursors for the

formation of isoprenoids via the alternative pathway

Arigoni and his coworkers found that 1-deoxy-D

-xylu-lose, a known precursor of the vitamins thiamine [11] and

pyridoxol [12], could be incorporated into terpenoids by

E coli [9] as well as by higher plants [7] More specifically,

plants were shown to utilize the mevalonate pathway in the

cytoplasmic compartment and the nonmevalonate pathway

in the plastid compartment [7,10,13,14] More recently, the

origin of a variety of plant terpenoids could be assigned to

this plastid-based nonmevalonate pathway (reviewed in [6])

Recent studies by several research groups identified

1-deoxy-D-xylulose 5-phosphate synthase as the first

enzyme of the alternative terpenoid pathway in certain bacteria [15 – 17] and plants [18,19] The enzyme product is converted into the branched chain polyol,

2C-methyl-D-erythritol 4-phosphate, by a reductoisomerase via a skeletal rearrangement followed by an NADPH-dependent reduction [20 – 23]

We have shown that in E coli 2C-methyl-D-erythritol 4-phosphate can be converted into a cyclic diphosphate by the consecutive action of 4-diphosphocytidyl-2C-methyl-D -erythritol synthase, 4-diphosphocytidyl-2C-methyl-D-erythritol kinase and 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase [24 – 26] (Fig 1) In the meantime, some of these results have been confirmed by other authors [27 – 29]

We have also shown that14C-labelled 2C-methyl-D -ery-thritol 2,4-cyclodiphosphate is incorporated into the lipid fraction of Capsicum annuum chromoplasts [26] 2C-methyl-D-erythritol 2,4-cyclodiphosphate had been isolated earlier as a stress metabolite from bacterial cultures

in high yield [30,31]

In this paper we describe the kinetics of

2C-methyl-D-erythritol 2,4-cyclodiphosphate incorporations into chromoplast preparations of C annuum and Narcissus pseudonarcissus, as well as the incorporation of [U-13C5 ]2-C-methyl-D-erythritol 2,4-cyclodiphosphate into phytoene from chromoplasts of C annuum

E X P E R I M E N T A L P R O C E D U R E S

Materials [1-3H]2C-methyl-D-erythritol 4-phosphate was prepared according to a method described by Kis et al using sodium

Correspondence to W Eisenreich, Lehrstuhl fu¨r Organische Chemie

und Biochemie, Technische Universita¨t Mu¨nchen, Lichtenbergstr 4,

D-85747 Garching, Germany Fax: þ 49 89 289 13363,

Tel.: þ 49 89 289 13043, E-mail: wolfgang.eisenreich@ch.tum.de

(Received 5 July 2001, revised 8 October 2001, accepted

9 October 2001)

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Fig 1 Biosynthesis of phytoene via the nonmevalonate pathway.

qFEBS 2001 Isoprenoid biosynthesis in plants (Eur J Biochem 268) 6303

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[3H]borohydride as reducing agent [32] [2,20-13C2]-,

[2-14C]2C-methyl-D-erythritol 2,4-cyclodiphosphate, and

[U-13C5]2C-methyl-D-erythritol 4-phosphate were prepared

as described [33,34]

Isolation of chromoplasts fromC annuum

Chromoplasts were isolated by a slight modification of the

method first described by Camara [35,36] Pericarp of red

pepper (500 g) was homogenized at 4 8C in 600 mL of 50 mM

Hepes, pH 8.0, containing 1 mM dithioerythritol, 1 mM

EDTA and 0.4 M sucrose (buffer A) The suspension was

filtered through four layers of nylon cloth (50 mm) and

centrifuged (10 min, 3290 g, GSA rotor) to obtain a pellet of

crude chromoplasts which was homogenized in 400 mL of

buffer A The suspension was centrifuged (10 min, 3290 g,

GSA rotor) The pellet was homogenized and resuspended

in 3 mL of 50 mM Hepes, pH 7.6, containing 1 mM

1,4-dithioerythritol The suspension was filtered through one layer

of nylon cloth (50 mm)

Preparation of a chromoplast extract

A suspension of washed C annuum chromoplasts (5 mL;

protein concentration, 10–15 mg·mL21) was diluted with

50 mM Hepes, pH 7.6, containing 1 mMdithioerythritol to a

final volume of 40 mL The mixture was kept for 10 min at

4 8C and was then centrifuged (60 min, 110 560 g, Ti 50

rotor) The supernatant was applied to a Sephadex G-25 column

(type PD-10, Amersham Pharmacia Biotech) which had been

equilibrated with 50 mM Hepes, pH 7.6, containing 1 mM

dithioerythritol The column was developed with the same

buffer Fractions were combined and concentrated using a

Centriprep-10 concentrator (Amicon) The final protein

concentration was about 1–2 mg·mL21

Isolation of chromoplasts fromN pseudonarcissus

The isolation followed a procedure described by Kleinig &

Beyer [37] Inner coronae of N pseudonarcissus (80 g)

were homogenized in 250 mL of 67 mMTris/HCl, pH 7.5,

containing 5 mM MgCl2, 1 mM dithioerythritol, 1 mM

EDTA, 0.2% (w/v) polyvinylpyrrolidone K90, and 0.74M

sucrose The suspension was filtered (three layers of nylon

cloth, 50 mm) and centrifuged (5 min, 1990 g, GSA rotor)

The supernatant was centrifuged (20 min, 25 400 g, GSA rotor) affording a pellet of crude chromoplasts which was resuspended in 2 mL of 67 mM Tris/HCl, pH 7.5, contain-ing 5 mM MgCl2, 1 mM dithioerythritol and 50% (w/v) sucrose The suspension was filtered through one layer of nylon cloth (50 mm) Aliquots of 2 mL were transferred to centrifuge tubes Equal volumes of 40, 30 and 15% (w/v) sucrose in 67 mM Tris/HCl, pH 7.5, containing 5 mM

MgCl2 and 1 mM dithioerythritol were placed on top of the chromoplast suspension Subsequent to centrifugation (60 min, 64 000 g, SW28 rotor), the fraction of intact chromoplasts at the 40/30% interphase was collected and diluted with 67 mM Tris/HCl containing 5 mM MgCl2and

1 mM dithioerythritol to a final sucrose concentration of 15% (w/v) The suspension was centrifuged (20 min,

25 130 g, SS34 rotor) and the pellet was suspended in

2 mL of 67 mM Tris/HCl, pH 7.5, containing 5 mMMgCl2 and 1 mM dithioerythritol

Incorporation experiments with isotope-labeled substrates

Reaction mixtures contained 100 mMHepes, pH 7.6, 2 mM

MnCl2, 10 mM MgCl2, 5 mM NaF, 2 mM NADPþ, 1 mM

NADPH, 6 mM ATP, 20 mM FAD and chromoplasts or chromoplast extract Isotope-labeled 2C-methyl-D-erythritol 4-phosphate and/or 2C-methyl-D-erythritol 2,4-cyclodiphos-phate were added as indicated in Table 1 The mixtures were incubated at 30 8C The reaction was terminated by ethyl acetate extraction The lipid extract was dried over sodium sulfate In experiments with radiolabeled substrates the residue was analyzed by scintillation counting and/or HPLC The aqueous phase was analyzed by reversed phase ion pair HPLC monitored by scintillation counting HPLC analysis of phosphorylated metabolites Reversed phase ion pair HPLC separations were performed with a Luna C8 column (Phenomenex, 5 mm,

4 £ 250 mm) The column was developed with a linear gradient of 0 – 42% methanol in 10 mM tetrabutylammo-nium sulfate, pH 6.0 (total volume, 60 mL; flow rate, 0.75 mL min21) The retention volumes of

2C-methyl-D-erythritol 4-phosphate and 2C-methyl-D-erythritol 2,4-cyclodiphosphate were 10.0 and 29.0 mL, respectively

Table 1 Competition experiments with [1- 3 H]2C-methyl- D -erythritol 4-phosphate (MEP) and [2- 14 C]2C-methyl- D -erythritol 2,4-cyclodi-phosphate (cMEPP) in a chromoplast system from C annuum In each experiment, the sample volume was 150 mL Conc., concentration; Sp radioact., specific radioactivity.

Proffered precursors

Radioactivity incorporation into

[1-3H]cMEPP the lipid-soluble material Experiment

Conc.

(m M )

Sp radioact.

(mCi·mmol 21 )

Conc.

(m M )

Sp radioact.

(mCi·mmol 21 )

14

C :3H (% a )

produced (nmol)

14

C (nmol)

3

H (nmol)

14

C :3H (% a )

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Isolation of 2C-methyl-D-erythritol 2,4-cyclodiphosphate

The reaction mixture was centrifuged and the supernatant

was applied to a CHROMABONDw SB column (500 mg,

Macherey & Nagel) The column was washed with water

and developed with 0.1 M ammonium bicarbonate The

effluent was passed through a column of DOWEX AG

50 W-X8 (100 – 200 mesh, Hþ-form) and was then

lyophilized The residue was dissolved in water and applied

to a Nucleosil 10SB HPLC-column which was developed

with 100 mMammonium formate in 40% (v/v) methanol at

a flow rate of 1 mL·min21 The effluent was monitored by

scintillation counting The retention time of

2C-methyl-D-erythritol 2,4-cyclodiphosphate was 26 min Fractions

were combined and lyophilized

Isolation of phytoene

Fresh red peppers (107 g) were homogenized and

lyophilized The dry powder was extracted with ethyl

acetate (2.5 L) The solution was brought to dryness under

reduced pressure The residue was dissolved in 10 mL of a

hexane/ethylacetate mixture (1 : 1, v/v) The solution was placed on a column of silica gel 60 (5 £ 40 cm) which was developed with a mixture of a hexane/ethylacetate (1 : 1; v/v) The red-colored fraction (400 – 480 mL) was collected and concentrated under reduced pressure The residue was dissolved in 100 mL of chloroform

Purification of phytoene Aliquots (10 mL) of crude phytoene solution in chloroform were applied to a Hypersil RP18 HPLC column (5 mm, 4.5 £ 250 mm, ThermoQuest Germna GmbH, Egelsbach, Germany) that was developed with a mixture of isopropanol/ acetonitrile/water (50 : 45 : 5, v/v) The effluent was monitored photometrically (280 nm) The retention volumes of b-carotene, phytoene, and xanthophylls were

12, 14, and 20 mL, respectively

NMR spectroscopy NMR spectra were recorded with a DRX 500 spectrometer from Bruker Instruments (Karlsruhe, Germany) equipped with four channels and a pulsed gradient unit Two dimensional homocorrelation and heterocorrelation experi-ments were performed withXWINNMRsoftware from Bruker Instruments Phytoene was measured in CDCl3, and 2C-methyl-D-erythritol 2,4-cyclodiphosphate was measured

in D2O

R E S U L T S

Isolated chromoplasts of C annuum were incubated with mixtures of [1-3H]2C-methyl-D-erythritol 4-phosphate and [2-14C]2C-methyl-D-erythritol 2,4-cyclodiphosphate (Table 1) and were then extracted with ethyl acetate The aqueous phase was analyzed by HPLC in order to monitor the conversion of [1-3H]2C-methyl-D-erythritol 4-phosphate into the corresponding 2,4-cyclodiphosphate The organic phase was analyzed for3H and14C in order to monitor the transformation of the proffered radioactive compounds into lipid-soluble material

The data summarized in Table 1 indicate that [1-3H]2C-methyl-D-erythritol 4-phosphate was diverted effici-ently to the 2C-methyl-D-erythritol 2,4-cyclodiphosphate

Fig 3 13 C NMR signals of 2C-methyl- D -erythritol 2,4-cyclodiphosphate obtained by incubation of [U- 13 C 5 ]2C-methyl- D -erythritol 4-phosphate with a chromoplast extract of C annuum.13C and31P coupling patterns are indicated.

Fig 2 Diversion of radioactivity from [2-14C]2C-methyl- D

-ery-thritol 2,4-cyclodiphosphate into lipid-soluble material of

chromo-plasts from Narcissus pseudonarcissus (A) 2C-methyl- D -erythritol

2,4-cyclodiphosphate; (B) lipid-soluble fraction.

qFEBS 2001 Isoprenoid biosynthesis in plants (Eur J Biochem 268) 6305

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pool The amount of newly formed [1-3

H]2C-methyl-D-erythritol 2,4-cyclodiphosphate increased with the

con-centration of the proffered [1-3H]2C-methyl-D-erythritol

4-phosphate; the transformation showed saturation

characteristics

[1-3H]2C-methyl-D-erythritol 4-phosphate as well as

[2-14C]2C-methyl-D-erythritol 2,4-cyclodiphosphate were

efficiently converted into lipid-soluble material The amount

of [1-3H]2C-methyl-D-erythritol 4-phosphate converted into

lipid-soluble material increased with the concentration of

the profferred substrate; saturation was reached at a

substrate concentration of less than 1 mM

The transformation of14C-labeled cyclic diphosphate into

lipid-soluble compounds had its maximum efficacy

(approximately 35%) at low concentrations of proffered

[1-3H]2C-methyl-D-erythritol 4-phosphate At high

concen-trations of this compound, the incorporation of 14C-label

from the cyclic diphosphate into the lipid-soluble fraction

was significantly diminished

In a similar experiment, we studied the formation of

lipid-soluble material from [2-14C]2C-methyl-D-erythritol

Fig 4. 13C NMR signals of phytoene obtained from [2,20-13C 2

]2-C-methyl- D -erythritol 2,4-cyclodiphosphate by incubation with

chromoplasts of C annuum 13 C coupling patterns are indicated.

Table 2.13C NMR assignments for phytoene.

Position

13

C-Chemical shift (d, p.p.m.) a

J CCb

a

Referenced to external TMS; bfrom the experiment with [2,20-13C 2 ]2-C-methyl- D -erythritol 2,4-cyclodiphosphate; c – e assignments may be interchanged.

Table 3.13C-Labeling pattern of phytoene obtained from chromo-plasts of C annuum incubated with [2,20-13C 2

]2C-methyl-D -erythritol 2,4-cyclodiphosphate ND, not determined, due to signal overlapping.

a

Calculated as the relative13C abundance by comparison of13C NMR signal intensities of the labeled sample with 13 C NMR signal intensities of an unlabeled phytoene sample.bcalculated as the fraction of the13C-coupled satellites in the global 13 C NMR intensity of a given atom c – e assignments may be interchanged.

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2,4-cyclodiphosphate using isolated chromoplasts from

N pseudonarcissus (Fig 2) The incorporation of

radio-actvity into lipid-soluble material was again checked by

solvent extraction of reaction mixtures and the consumption

of 2C-methyl-D-erythritol 2,4-cyclodiphosphate was

monitored by HPLC analysis of the aqueous phase using a

scintillation detector As shown in Fig 2, the radioactive

substrate was virtually completely depleted and up to 94%

of the proffered radioactivity was transformed into

lipid-soluble material

Next, experiments with precursors labeled with stable

isotopes were initiated An extract prepared from isolated

chromoplasts of C annuum was depleted of low molecular

mass compounds by gel filtration and was then incubated

with [U-13C5]2C-methyl-D-erythritol 4-phosphate in

admix-ture of a small amount of [2-14C]2C-methyl-D-erythritol

4-phosphate at 30 8C for 15 h as described under

Experimental procedures A radioactive product was then

isolated from the reaction mixture and was analyzed by13C

NMR spectroscopy (Fig 3)

All 13C NMR signals of the isolated compound were

multiplets due to13C13C coupling Based on chemical shift

values and coupling constants, the compound was identified

as 2C-methyl-D-erythritol 2,4-cyclodiphosphate (see [26]

for NMR data of the authentic compound) The absence of

singlet signals for the carbon atoms 1, 2, 2-Me, 3 and 4 in the

spectrum of the isolated material demonstrates that the

proffered material had not been diluted by significant

amounts of endogenous material with natural 13C

abun-dance It follows that the chromoplast extract used did not

contain significant amounts of endogenous, unlabeled

2C-methyl-D-erythritol 2,4-cyclodiphosphate

Isolated chromoplasts from C annuum were

sub-sequently incubated with 0.7 mM [2,20-13C2

]2C-methyl-D-erythritol 2,4-cyclodiphosphate at 30 8C for 12 h The

suspension was extracted with ethyl acetate, and phytoene

(Fig 1, compound 10) was isolated from the resulting

mixture of lipophilic compounds.13C NMR signals of the

isolated compound are shown in Fig 4

Signal assignments taken from [38] are supported by

1-and 2- dimensional analysis of the 13C-labeled phytoene

sample (Table 2) Eight of the 2013C signals of the labeled

phytoene appeared as singlets, eight signals showed

high-intensity satellites caused by 13C –13C coupling, and four

signals were characterized by13C –13C coupling satellites of

lower intensity (Table 3) The13C connectivity was further

analyzed by a two-dimensional INADEQUATE experiment

showing four pairs of13C atoms (Fig 5)

The terminal moiety of phytoene is biosynthetically derived from dimethylalkyl diphosphate Both methyl groups (i.e C-16 and C-17) of this moiety showed13C–13C coupling satellites, albeit of different intensities (Table 3) The labeling pattern of the reconstructed DMAPP unit is summarized in Fig 6 and the evaluation of the signal intensities indicated a ratio of 10 : 1 for the two isotopomers a and b The13C NMR signals of the methyl groups C-18, C-19, and C-20 of phytoene (biosynthetically equivalent to C-5 of IPP) showed

13C-coupled satellites of high intensity (Table 3) From the signal intensities the molar fraction of the IPP isotopomer c can be calculated (Fig 6)

The signals of C-12 and the coincident signals of carbon atoms 4 and 8 showed one bond13C –13C coupling satellites

of lower intensities that were substantially broadened by comparison with the central signal (Fig 4) When processed for maximum resolution, these satellites appeared as pseudotriplets that could be due to long range coupling involving vicinal isoprenoid moieties Due to the line broadening, the precision of signal integration is substan-tially reduced However, within the experimental limits, it appears that the abundance of IPP isotopomer d is similar to that of DMAPP isotopomer b (Fig 6)

D I S C U S S I O N

The conversion of 2C-methyl-D-erythritol 4-phosphate into the corresponding 2,4-cyclodiphosphate by the consecutive action of three recombinant E coli enzymes (specified by the ispD, ispE and ispF genes) has been described [24 – 29] Orthologs of ispD and ispE from Arabidopsis thaliana and tomato, respectively, have been expressed in recombinant

E coli cells [39,40]

This paper shows that isolated chromoplasts from

C annuum and N pseudonarcissus catalyze the con-version of 2C-methyl-D-erythritol 4-phosphate into the 2,4-cyclodiphosphate in a process that displays saturation kinetics and that the product of this reaction is further processed efficiently into phytoene

The results of the competition experiments summarized in Table 1 demonstrate that the incorporation of radioactivity from [1-14C]2C-methyl- -erythritol 2,4-cyclodiphosphate

Fig 5 Two-dimensional INADEQUATE spectrum of phytoene

obtained from [2,20-13C 2 ]2C-methyl- D -erythritol

2,4-cyclodipho-sphate by incubation with chromoplasts of C annuum.

Fig 6 Reconstruction of the labeling pattern of IPP (isotopomers a and b) and DMAPP (isotopomers c and d) from the labeling pattern

of the phytoene sample obtained in the experiment with [2,20- 13 C 2 ]2C-methyl- D -erythritol 2,4-cyclodiphosphate Bold lines denote bonds linking adjacent 13C atoms, numbers indicate the percentage molar fraction of the isotopomers.

qFEBS 2001 Isoprenoid biosynthesis in plants (Eur J Biochem 268) 6307

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into phytoene (the main labeled component of the

lipid-soluble fraction) is systematically diminished by the

addition of increasing amounts of [1-3H]2C-methyl-D

-ery-thritol 4-phosphate Moreover, the data show that even at

saturating concentrations of the tritiated compound, the

relative transfer of14C-label from the cyclodiphosphate pool

is always in excess of the value calculated from the original

molar concentration of the two precursors This requires that

within the nonmevalonate pathway the cyclodiphosphate is

nearer than the 4-phosphate to IPP and DMAPP, the two C5

building blocks from which phytoene is assembled Thus, on

all the available accounts the cyclodiphosphate behaves as

expected for an obligatory intermediate

NMR spectroscopic analysis of the phytoene specimen

obtained from [2,20-13C2]2C-methyl-D-erythritol

2,4-cyclo-diphosphate reveals a partial scrambling of label between

(Z)- and (E)-methyl groups of DMAPP derived units and for

the corresponding IPP-derived internal units A similar

partial scrambling of label between the (Z)- and (E)-methyls

of the starter DMAPP unit matched by a corresponding

scrambling within nonstarter C5-units derived from IPP in

the elongation process has been observed in the mevalonate

independent biosynthesis of carotenoids in cell cultures of Catharanthus roseus [13] as well as for the DMAPP-derived

C5-unit of mevalonoid origin present in several clavine alkaloids [41 – 43]; but for a possible exception [44], a corresponding scrambling within the nonstarter C5units of mevalonoid terpenes seems to have gone undetected, probably because of the inadequacy of the analytical tools employed in earlier work using a14C label In all the cases

in which such a scrambling was observed it was usually ascribed to a lack of fidelity of the isomerase that inter-converts IPP and DMAPP Participation of the isomerase is

of crucial importance in the mevalonate pathway, in which formation of IPP and DMAPP take place in sequential steps;

in contrast, the available evidence indicates that within the new pathway IPP and DMAPP are formed in independent steps from a common and yet unidentified intermediate [45 – 50], but a subsequent partial equilibration of the pre-formed units can nevertheless occur in organisms equipped with the isomerase, as is the case in higher plants in which the two metabolic pathways are known to coexist

The isomerization of IPP to DMAPP is an antarafacial process in which a proton is added to the re-re face of the double bond with subsequent or concomitant stereospecific removal of the HB hydrogen at C-2 (Fig 7) from the opposite face of the molecule [51]; in the specific case of a recombinant yeast enzyme, the catalytic groups have been identified as Cys139, respectively, Glu207 [52] In refinement and extension of previous observations by other authors [53], the Poulter group has carried out a thorough investigation on the lack of fidelity of this isomerase by analyzing the proton exchange that occurs when IPP is incubated with the enzyme in D2O [54]; a rapid exchange was detected for the C-4 hydrogens and one of C-2 hydrogens of IPP as well as for the (E)-methyl group of DMAPP, followed by a slower exchange (2% of the isomerization rate) of the methyl group of IPP and the (Z)-methyl group of DMAPP, and an even slower exchange (0.5% of the isomerization rate) of the olefinic hydrogen of DMAPP corresponding to the HA-hydrogen at C-2 of IPP

It is tempting to correlate this lack of regiochemical and stereochemical fidelity of the enzyme with the bidentate nature of the Glu207 carboxylate group positioned in the ES complex of the reaction as indicated in Fig 7; in this geometric arrangement one of the oxygens is competent for efficient removal of the HB hydrogen from C-2 of the

Fig 7 Model representation for the positioning of the substrate in

the active site of IPP isomerase; (a) and (b) represent alternative

paths for proton abstraction from the substrate by the ambident

carboxylate group of Glu207.

Fig 8 A detailed mechanistic scheme accounting for the known lack of fidelity of IPP isomerase The resulting isotopic scrambling can be visualized by following the fate of the C atom labeled with a black dot in the starting material represented in the squares The alternative reaction paths (a) and (b) correspond to the ones illustrated in Fig 7 Sets A and B illustrate two different binding modes for the substrate.

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substrate (path a), while the second oxygen is close enough to

the methyl group to catalyze, as an alternative, the occasional

removal of one of its hydrogens (path b) The outcome of the

two competing deprotonation paths is illustrated in Fig 8 for

the predominant ES complex A of a sample of IPP carrying a

13C label in its methyl group; a similar scheme involving a

less stable ES complex B is necessary to account for the

observed very slow exchange of the HA-hydrogen of IPP In

both cases, scrambling of the label takes place within the IPP

pool and the error is then transcribed into the DMAPP pool by

the normal action of the isomerase The validity of the

proposed scheme is rewardingly supported by the observation

that the enzyme is capable to convert the IPP homolog X into

its isomer Y (see Fig 9) in a process which bypasses the

formation of allylic isomers [53]

A C K N O W L E D G E M E N T S

This work was supported by grants from the Fonds der Chemischen

Industrie and the Deutsche Forschungsgemeinschaft (SFB369) to A B.,

W E and M H Z and a fellowship from the

Hans-Fischer-Gesellschaft to T R We thank Katrin Ga¨rtner for skillfull assistence

and Prof B Camara, Strasbourg, for a sample of phytoene Financial

support by Novartis International AG Basel (to D A.) is gratefully

acknowledged.

R E F E R E N C E S

1 Qureshi, N & Porter, J.W (1981) Biosynthesis of mevalonic acid

from acetyl-CoA In Biosynthesis of Isoprenoid Compounds

(Porter, J.W & Spurgeon, S.L., eds), Vol 1, pp 47 – 94 John

Wiley, New York, USA.

2 Bloch, K (1992) Sterol molecule: structure, biosynthesis and

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