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A thermoacidophilic endoglucanase CelB from Alicyclobacillusarabinofuranosidases belonging to family 51 of glycoside hydrolases Kelvin Eckert and Erwin Schneider Humboldt Universita¨t zu

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A thermoacidophilic endoglucanase (CelB) from Alicyclobacillus

arabinofuranosidases belonging to family 51 of glycoside

hydrolases

Kelvin Eckert and Erwin Schneider

Humboldt Universita¨t zu Berlin, Institut fu¨r Biologie/Bakterienphysiologie, Berlin, Germany

A 100-kDa protein with endoglucanase activity was purified

from Triton X-100 extract of cells of the thermoacidophilic

Gram-positive bacterium Alicyclobacillus acidocaldarius

The enzyme exhibited activity towards carboxy methyl

cel-lulose and oat spelt xylan with pH and temperature optima

of 4 and 80C, respectively Cloning and nucleotide

sequence analysis of the corresponding gene (celB) revealed

an ORF encoding a preprotein of 959 amino acids which

is consistent with an extracellular localization Purified

recombinant CelB and a variant lacking the C-terminal 203

amino acid residues (CelBtrunc) displayed similar enzymatic

properties as the wild-type protein Analysis of product

formation suggested an endo mode of action Remarkable

stability was observed at pH values between 1 and 7 and

60% of activity were retained after incubation for 1 h at

80C CelB displayed homology to members of glycoside

hydrolase family 51, being only the second entry with activity

typical of an endoglucanase but lacking activity on

p-nitro-phenyl-a-L-arabinofuranoside (pNPAraf) Highest sequence similarity was found towards the other endoglucanase F from Fibrobacter succinogenes (EGF), forming a distinct group in the phylogenetic tree of this family Analysis of the amino acid composition of the catalytic domains demon-strated that CelB contains fewer charged amino acids than its neutrophilic counterparts, which is in line with adaptation

to low pH Wild-type and full-length recombinant CelB were soluble only in Triton X-100 In contrast, CelBtrunc was completely water soluble, suggesting a role of the C-terminal region in cell association This C-terminal hydrophobic region displayed local sequence similarities to an a-amylase from the same organism

Keywords: endoglucanase; EC 3.2.1.4; enzyme 1,4-b-D -glu-can glu-glu-canohydrolase; glycoside hydrolase family 51; acidophile; Alicyclobacillus

Cellulose and hemicellulose (e.g xylan), the major

compo-nents of the plant cell wall, constitute complex substrates as

variation can occur in the nature of the monomers, the

linkages, chain length and degree of substitution The

complexity and variety of these substrates are mirrored by

the numerous enzymes employed by microorganisms to

degrade them Thus, conversion of cellulose and xylan to

soluble products requires endoglucanases (1,4-b-D

-glucan-4-glucanohydrolase; EC 3.2.1.4), exoglucanases, including

cellodextrinases (1,4-b-D-glucan glucanohydrolase; EC

3.2.1.74) and cellobiohydrolases (1,4-b-D-glucan

cello-biohydrolase; EC 3.2.1.91), b-glucosidases (b-glucoside

glucohydrolase; EC 3.2.1.21), xylanases (1,4-b-D-xylan

xylanohydrolase; EC 3.2.1.8) and b-xylosidases (1,4-b-D -xylan xylohydrolase; EC 3.2.1.37) [1] To reflect structural features and to reveal the evolutionary relationships between these enzymes, glycoside hydrolases have been grouped into families on the basis of sequence similarity [2] Some families contain enzymes with different substrate specificities while, on the other hand, enzymes with the same activity are found in different families [3] Thus, cellulases are found in families 5–10, 12, 44, 45, 48, 51, 61 and 74, while xylanases have been assigned to families 10, 11, and 43 Cellulolytic and xylanolytic activities are also widespread

in thermophilic microorganisms Their occurrence is testi-mony to the presence of these substrates in thermophilic environments, either as plant litter in natural hot springs or

in environments such as composite piles Remarkably however, with a few exceptions, degradation of cellulose and hemicellulose among thermophiles is mostly due to anaerobic species and is absent in archaea [4] Endoglucan-ases from aerobic thermophilic bacteria, displaying tem-perature optima between 55 and 70C and pH optima between 5 and 7 have been described so far for Acidother-mus cellulolyticus[5], Rhodothermus marinus [6], Thermobi-fida fusca[7], and Caldibacillus cellulovorans [4] Based on

16S-rRNA gene sequence, the latter is a close relative of members of the genus Alicyclobacillus that is characterized

by the presence of alicyclic fatty acids as major components

Correspondence to E Schneider, Humboldt Universita¨t zu Berlin,

Institut fu¨r Biologie/Bakterienphysiologie, Chausseestr 117,

D-10115 Berlin, Germany.

Fax: + 49 (0)30 20938126, Tel.: + 49 (0)30 20938121,

E-mail: erwin.schneider@rz.hu-berlin.de

Abbreviations: CelB trunc , C-terminally truncated CelB protein; CMC,

carboxy methyl cellulose; EGF, endoglucanase F; GH, glycoside

hydrolase; pNPAraf, p-nitrophenyl-a- L -arabinofuranoside.

Note: Nucleotide sequence data are available in the EMBL database

under the accession number AJ551527.

(Received 20 June 2003, accepted 8 July 2003)

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of their membrane lipids Members of this genus are

acidophilic, strictly aerobic and have been described as

noncellulolytic [4] Alicyclobacillus acidocaldarius (ATCC

27009) was first isolated from an acidic creek in Yellowstone

National Park, USA [8] and displays pH and temperature

optima of 3–4 and 60C, respectively Recently, we

succeeded in the cloning, purification and crystallization

of a cytoplasmic family 9 endoglucanase (CelA) from

A acidocaldarius [9,10] The enzyme was active against

cellobiosides, suggesting a role in degradation of imported

oligosaccharides Here, we report the gene cloning,

sequen-cing and characterization of an extracellular endoglucanase

(CelB) from the same organism that hydrolyses carboxy

methyl cellulose (CMC), acid-swollen cellulose and oat spelt

xylan The enzyme displays a high degree of sequence

similarity with members of GH family 51 of

arabinofur-anosidases, but completely lacks this activity Moreover,

CelB is the first acidophilic addition to the family, exhibiting

maximal activity at pH 4 and a remarkable tolerance to pH

values ranging from 1 to 7

Experimental procedures

Bacterial strain and culture conditions

A acidocaldariusATCC 27009 was grown in minimal salt

medium as described [11] Carbon sources (at 0.2% each)

were oat spelt xylan, birchwood xylan (Roth, Germany),

starch (Sigma, Germany), sugar beet arabinan (Megazyme,

Ireland), CMC (Serva Feinbiochemica, Germany) or

glycerol Maltose (Roth, Germany), cellobiose, glucose or

xylose (Merck, Germany) were added to a final

concentra-tion of 10 mM

Cloning procedures and plasmid constructions

Restriction mapping, subcloning and Southern

hybridiza-tion were carried out using standard molecular biology

techniques according to [12] Plasmid and phagemid

DNA was purified with Qiagen’s plasmid kit DNA

sequencing was carried out commercially by Agowa

(Berlin, Germany) on both strands according to the

method of [13]

Chromosomal DNA from A acidocaldarius was isolated

as described in [11] After partial digestion of DNA with

SauIIIA, DNA fragments ranging from 8 to 12 kbwere

ligated into the Zap Express vector (Stratagene, Heidelberg,

Germany), packaged using the Gigapack cloning kit

(Stratagene) and plated using Escherichia coli xl1 MRF¢

(Stratagene) as host strain according to the manufacturer’s

instructions Screening took place by overlaying replica

plates with top agar containing 10 mM isopropyl

thio-b-D-galactoside, 1% CMC, 250 mMb-alanine, pH 3.5, 1 mM

MgSO4, 1.25 mM CaCl2, 0.55% Gelrite (Merck) and

incubating overnight at 57C The relatively high

concen-tration of b-alanine buffer should ensure a low pH of the

top agar in order to select for acidophilic enzymes Lysis

zones around positive plaques were identified by flooding

the plates with 0.1MTris, pH 8, and staining with Congo

red according to [14] Phagemids were derived and plated

from positive plaques according to Stratagene using the

ExAssist helper phage and the E coli XLORL strain

(Stratagene) The resulting plasmid harboring a 6.4-kb fragment was designated pKE25 (Fig 1A)

Plasmid pKE2201 was constructed by ligating a PstI-EcoRI fragment of pKE25 (Fig 1A,B) into the expres-sion vector pBAD/HisB (Invitrogen) The resulting ORF (celBtrunc) translates into a protein with six histidine residues fused to Gly35 of the precursor As the 3¢ region of the truncated ORF lacked a termination codon, a stop codon provided by the pBAD/HisB vector is used This resulted

in an extension of the protein by the sequence PKNSKLGCFFG C-terminal of Asp-757

Plasmid pKE25a5 was obtained by ligating a 5.7-kb KpnI fragment that was identified by Southern hybridization of digested chromosomal DNA with a digoxygenin-labeled (Boehringer) XhoI-NcoI fragment of pKE25 into plasmid pUC18 [15] (Fig 1A)

Plasmid pKE101, harboring the complete celB gene was constructed by fusing the inserts from pKE25a5 and pKE2201 via a unique KpnI site in pBAD/HisB Thus,

Fig 1 Overview of the celB region and cloning strategy, and sequence analysis of the 5¢ region of the celB gene (A) Overview of the celB region and cloning strategy Shown is the celB region of the A aci-docaldarius chromosome (top line) Numbers indicate nucleotide positions relative to the 5¢-SauIIIA site of the original clone (pKE25) ORFs are represented by arrows in the direction of transcription Dashed arrows show ORFs neighboring celB with putative assign-ments The crooked arrow indicates the celB promoter detailed in B The thick vertical bar indicates the end of the ORF in celB trunc Restriction sites relevant to the cloning strategy are given At the bottom inserts of the constructed plasmids are drawn in relation to the celB region with the restriction sites used for excision of the insert prior

to ligation in the host vector (in parentheses) The DNA fragment of pKE25 used for Southern hybridization is marked by a black box (B) Sequence analysis of the 5¢ region of the celB gene Shown are the nucleotide sequence and the corresponding amino acids Indicated for the nucleotide sequence are the putative )10 and )35 promoter regions (underlined), the ribosome-binding site (double-underlined), the start codon (boldface) and the PstI site used for subcloning (dotted line) Indicated in the amino acid sequence are the putative cleavage site of the signal peptidase (arrow) and the amino acid sequence found in the N-terminus of the wild-type protein (identical positions underlined).

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recombinant full-length CelB has an N-terminus identical

with CelBtrunc, but is derived from the full-length ORF with

the wild-type termination codon (see also Fig 1A)

Computer-aided sequence analyses

Sequences were analyzed using DNASIS (Hitachi) The

hydropathy plot was obtained using the algorithm of Kyte

and Doolittle [16] with a window size of 50 Database

searches were conducted withBLASTP2.2.5 andPSI-BLASTat

NCBI [17] Internal sequence similarities and local

align-ments between two sequences were analyzed usingPLALIGN

2.1 [18] CLUSTALX [19] was used for alignments and

construction of phylogenetic trees with the neighbor-joining

method Figures were drawn withGENEDOC[20] and

TREE-VIEW[21]

Purification of wild-type CelB

A acidocaldariuscells were grown for three days on oat

spelt xylan, reaching an OD at 650 nm of 2, harvested by

centrifugation and resuspended in the same volume of

minimal salt medium Subsequently, cells were extracted

with Triton X-100 (0.05% final) for 30 min at 57C and

recentrifuged for 15 min at 20 000 g Routinely, 450 mL of

Triton extract were adjusted to pH 6.5 by adding 10 mM

BisTris buffer, and loaded onto a Q-Sepharose (Sigma)

column (bed volume: 25 mL) equilibrated with 10 mM

BisTris, pH 6.5, containing 0.94 mMCaCl2, 2 mMMgSO4,

and 0.005% Triton X-100 (buffer A) After washing with

150 mL buffer A, elution was performed with a NaCl

gradient from 0 to 0.2M in 500 mL of buffer A

CelB-containing fractions were collected, supplemented with

b-alanine buffer, pH 3.5, to a final concentration of

40 mMand stored at)80 C

Purification of recombinant CelB and CelBtrunc

E coli strain TOP10 (Invitrogen) hosting either the

plasmid pKE101 for production of full-length CelB or

pKE2201 for CelBtruncwas grown in LB broth,

contain-ing ampicillin (100 lgÆmL)1), to D650¼ 0.5 Expression

of celB and celBtrunc was induced by addition of 0.2 and

0.02% arabinose, respectively, and growth continued for

4 h Subsequently, cells were harvested, resuspended in

buffer B (50 mM sodium phosphate, pH 7, 300 mM

NaCl, 0.1 mM phenylmethylsulfonyl fluoride) to a D650

of 25 Purification of full-length CelB proceeded with

subsequent disintegration of the cells by sonication for

5 min (Sonifier II, Branson) followed by centrifugation at

130 000 g for 1 h at 4C The resulting supernatant

(2 mL) was mixed with 0.5 mL Ni-NTA agarose

(Qia-gen) and Tween 20 was added to a final concentration of

0.1% From hereon, Tween 20 and phenylmethylsulfonyl

fluoride were present in all buffers Binding took place

for 30 min at 4C at an imidazole concentration of

10 mM after which the matrix was transferred to a

column (diameter 0.5 cm) and washed with 5 mL of

buffer) B containing 10 mM imidazole Elution of bound

protein was performed by raising the imidazole

concen-tration stepwise from 25 to 200 mM CelB-containing

peak fractions were pooled and dialyzed overnight

(dialysis tubing type 20, 12–16 kDa cut-off, Biomol, Germany) against buffer C (50 mM b-alanine, pH 3.5,

10 mM CaCl2, 10 mM MgCl2)

CelBtruncwas purified by disrupting the resuspended cells

in a French press at 18 000 psi After centrifugation 50 mL

of the resulting supernatant were diluted 1 : 1 with buffer B and incubated with 5 mL Ni-NTA agarose for 30 min in the presence of 10 mM imidazole Then, the resin was transferred to a column (diameter 1.5 cm), washed with

50 mL buffer B, containing 20 mMimidazole and protein was eluted with 65 mL buffer B, containing 50 mM

imidazole Peak fractions were pooled, concentrated 10-fold with an Amicon concentrator (YM30 memb rane) and dialyzed overnight against buffer C

Enzyme assays Under standard conditions enzyme activity was assayed at

a protein concentration of 1.3 lgÆmL)1 in buffer C with 0.25% CMC for 1 h at 70C Subsequently, reducing sugar content was determined according to [22] One unit (U) is defined as the amount of enzyme releasing 1 lmol of reducing equivalents per minute Xylanase activity was measured accordingly using oat spelt xylan solubilized as described previously [9] In addition to the substrates used for cultivation, linear arabinan from beet arabinan (Mega-zyme, Ireland), avicel PH101 (Fluka, Germany), phosphoric acid-swollen cellulose, prepared according to Wang et al [23] (0.25% each), and pNPAraf (Sigma, Germany) (10 mM) were employed pH stability was determined by incubating concentrated CelBtrunc(25 lgÆmL)1) in 75 mMof the indicated buffers, supplemented with 10 mMCaCl2and

10 mM MgCl2. After incubation overnight at 4C, the sample was diluted 40-fold in buffer C and activity was assayed under standard conditions

Thin-layer chromatography After substrate hydrolysis in buffer C analysis of released products was performed as described previously [9,24] N-Terminal amino acid sequence analysis

Protein samples (40-fold concentrated Triton extract or purified wild-type CelB) were subjected to SDS/PAGE and stained with Serva Blue R, after which CelB was exci-sed Cyan bromide treatment and sequencing were kindly performed by R Schmid (University of Osnabru¨ck, Germany) as described [25,26]

Analytical methods SDS/PAGE and staining with Serva Blue R (Serva) was carried out as described in [11] using 10% acrylamide Silver staining was performed according to [27] For activity staining SDS gels containing either 0.2% CMC or 0.2% oat spelt xylan were used and treated with 50 mM b-alanine,

pH 3.5, 0.94 mMCaCl2, 2 mM MgSO4 according to [28] The number of washing steps was reduced to three Subsequent incubation took place for 1 h at 57C Immunoblot analyses were performed by transferring proteins from SDS gels onto nitrocellulose membranes

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using a Trans-Blot semidry apparatus (Bio-Rad) [29].

Subsequently, the membranes were incubated with a

polyclonal antiserum raised against purified wild-type CelB

(Biogenes, Germany) Antigen–antibody complexes were

visualized with peroxidase-conjugated donkey anti-rabbit

immunoglobulins using enhanced chemiluminescence

(Luminol, NEN, USA) and exposure to Hyperfilm

(Amer-sham-Buchler, Germany)

Protein concentration was determined with the Micro

BCA Protein Assay Reagent Kit (Pierce)

Results

Purification of a xylan-degrading enzyme from

A acidocaldarius

In the initial stage of this work, we screened A

acidocalda-riusfor extracellular thermoacidophilic enzymes with

poly-saccharide-degrading activities The organism was found to

utilize a variety of polysaccharides including xylan as sole

source of carbon and energy However, we failed to detect

xylanase activity in the culture supernatant Thus, assuming

a cell-associated enzyme, we succeeded in extracting

xylan-degrading activity from intact cells with Triton X-100 The

xylanase activity remained cell-bound, even after the culture

reached the stationary phase of growth SDS/PAGE of

Triton-extracted proteins followed by silver staining

revealed about 10 major proteins with molecular masses

ranging from 30 to 100 kDa (Fig 2A, lane 1) Zymogram

analysis demonstrated that at least five of these proteins

displayed activity towards oat spelt xylan (not shown) and

CMC (Fig 2A, lane 2) To begin with, we concentrated our

further efforts on the 100-kDa protein Purification of the protein was achieved by ion exchange chromatography using Q-Sepharose in the presence of 0.05% Triton X-100 (Fig 3, lane 1) From a 1-L culture of A acidocaldarius

 2.0 mg of the 100-kDa protein exhibiting, on average, a CMCase activity of 10.3 UÆmg)1and a xylanase activity of 0.9 UÆmg)1were obtained routinely

N-Terminal sequence analysis of the protein revealed the peptide sequence ADV(T?)STPI(A?)MEXQV, while ana-lysis of a peptide fragment generated by cyanogen bromide gave rise to the sequence (M)VAEL(G?)REINAY No homology to an entry in the database was found using BLASTP

The purified 100-kDa protein was injected into rabbits to raise polyclonal antibodies Subsequent immunoblot ana-lysis of the Triton extract revealed that, in addition to the 100-kDa protein, two other protein bands strongly cross-reacted with the antiserum (Fig 2A, lane 3) This result may imply that these proteins represent degradation products of the 100-kDa protein Thus, the additional bands observed

in the zymogram (Fig 2A) are likely to represent other enzymes that participate in the complete degradation of CMC or xylan

Furthermore, Western blot analysis of Triton extracts from A acidocaldarius cells grown on different substrates demonstrated that, in addition to oat spelt xylan, synthesis

of the 100-kDa protein was induced by birchwood xylan, CMC, and cellobiose, but not by glycerol, glucose, xylose, maltose, starch or arabinan (Fig 2B)

Cloning and sequence analysis of the 100-kDa protein The cloning procedure with the Zap Express vector (see Experimental procedures for details) yielded a gene bank with 2· 106plaque-forming units (p.f.u.) with insert sizes ranging from 3–10 kb Screening of 45 000 plaques for

Fig 2 Identification of CelB in Triton extract from A acidocaldarius.

(A) Triton extract (25 lL per lane) from cells grown on oat spelt xylan

after SDS/PAGE and silver staining (lane 1), zymogram analysis with

CMC (lane 2) and Western blotting (lane 3) with antibodies raised

against wild-type CelB (B) Western blots of Triton extracts (25 lL)

from A acidocaldarius grown on different substrates Lanes 1,

cello-biose; 2, starch; 3, arabinan; 4, birchwood xylan; 5, xylose; 6, CMC; 7,

glycerin; 8, glucose; 9, maltose.

Fig 3 SDS/PAGE of purified wild-type and recombinant forms of CelB Lane 1, wild-type CelB (0.2 lg), silver stained; 2, full-length recombinant CelB (3 lg), stained with Serva Blue R; 3, recomb inant CelB trunc (3 lg), stained with Serva Blue R.

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CMC activity with the substrate overlay method and

subsequent excision resulted in five phagemids One clone

harbored a previously described intracellular cellulase CelA

[9] as identified by Western blotting, but a second clone

reacted with antibodies raised against the wild-type

100-kDa protein Nucleotide sequencing revealed an incomplete

ORF which coded for a protein that displayed high

sequence similarities with endoglucanases and

arabinofur-anosidases Eventually, screening digested chromosomal

DNA by Southern hybridization with a fragment from the

3¢ end of the incomplete ORF gave rise to an overlapping

clone that contained the rest of the ORF

The complete ORF encoded a preprotein of 959 amino

acids with a molecular mass of 100 849 kDa A possible

start codon (TTG) with a putative ribosome-binding site

was found together with possible )10(TATAAC) and

)35(TTGACA) regions (Fig 1B) SignalP [30] detected a

possible signal peptide whose cleavage site was located

C-terminal of amino acid Ala25 of the preprotein

(Fig 1B) Nineteen amino acids situated C-terminally of

the cleavage site with a sequence with 79% identity to the

sequence obtained from the N-terminus of the purified

wild-type 100-kDa protein were found (Fig 1B)

More-over, residues 485–496 of the translated ORF showed

only one substitution when compared with the internal

sequence of the 100-kDa protein (see above) In both

cases, the observed mismatches concerned only those

residues that could not unequivocally be identified by

amino acid analysis Taken together, we conclude that the

ORF is likely to encode the 100-kDa protein that was

purified from A acidocaldarius cells The ORF was

designated celB

The celB gene is flanked by two divergently transcribed

putative ORFs, encoding a LacI/GalR type transcription

regulator (152 nucleotides downstream of celB) and a LysE

type exporter (176 nucleotides upstream of celB),

respect-ively (Fig 1A)

A database search using BLASTP revealed highest

sequence similarity of CelB (28% identity, 45% similarity

over a length of 410 amino acids) with endoglucanase F

(EGF) from Fibrobacter succinogenes S85 ([31], GenBank

accession number U39070) which belongs to family 51 of

glycoside hydrolases (GH51) Among the 32 other

mat-ches found, 19 were arabinofuranosidases After three

iterations PSI-BLAST showed only three proteins not

classified as arabinofuranosidases among the top 30

matches Sequence comparison of CelB with all members

of GH51 revealed a central catalytic domain ranging from

amino acids Thr223 to Pro702 Catalytic residues have

been inferred from sequence alignments in this family [32]

and have been experimentally confirmed [33–35] The

conserved motif Gly Asn Glu is also present in CelB

identifying Glu366 as the acid/base catalyst Furthermore,

Glu510 is a possible candidate for the catalytic nucleophile

residue A phylogenetic tree constructed from the

align-ment of the catalytic domains showed that CelB forms

a distinct cluster with EGF (Fig 4) These two are the

only enzymes characterized as endoglucanases in GH

family 51

Adjacent to the catalytic region, a stretch of 20 amino

acids (residues Ser720–Asp739) was found with 60% of the

residues being proline, aspartate, serine or threonine, which

are typical of linker sequences [36] This was the highest occurrence of these amino acids in the whole sequence Thus, this region may function as a linker between the catalytic domain and the C-terminal portion of the enzyme

A database search with the N-terminal region of CelB (residues 1–222) revealed no significant similarities to other proteins

Fig 4 Phylogenetic tree of catalytic domains belonging to GH family 51 CelB (doubly underlined) forms a distinct group with EGF (under-lined) Also underlined is AbjA (CAA76421) from the thermophile

T xylanilyticus Bar length, extent of exchange of 0.1 per residue GenBank/GenPept accession codes are given (Agrobacterium tume-faciens C58: AAL43920, ORF Atu3104; Arabidopsis thaliana: AAD40132, ORF At5g26120/T1N24.13; AAF19575, ORF At3g10740/T7M13–18; Aspergillus niger: AAC41644, arabinofurano-sidase A; A niger var awamorii: IFO4033,BAB21568, ArfA; Bacil-lus halodurans C-125: BAB05580, ORF AbfA (BH1861); BAB05593, ORF Xsa (BH1874); Bacillus subtilis ssp subtilis str 168: CAA61937, arabinofuranosidase 1; CAA99576, arabinofuranosidase 2; Bactero-ides ovatus: AAA50391, arabinosidase 1; AAA50393, arabinosidase 2; Bifidobacterium longum NCC2705: AAN24035, BL0181; AAN24368, AbfA1; AAN24945, BL1138; AAN24971, AbfA2; AAN25400, AbfA3; Caulobacter crescentus CB15: AAK23403, ORF CC1422; Cellvibrio japonicus: AAK84947, arabinofuranosidase; Clostridium acetobutyl-icum ATCC 824: AAK81366, ORF CAC3436; Clostridium sterco-rarium: AAC28125, arabinofuranosidase; Cytophaga xylanolytica: AAC38456, arabinofuranosidase I; AAC38457, arabinofuranosidase II; F succinogenes S85: AAC45377, EGF; G stearothermophilus T-6: AAD45520, abfA; Hordeum vulgare: AAK21879, AXAH-I; AAK21880, AXAH-II; Mesorhizobium loti MAFF303099: NP 104667, Mll3591; Oryza sativa: BAC10349, OJ1200 C08.20; CAD39869, OSJNBb0058J09.6; Sinorhizobium meliloti 1021: CAC49446, AbfA; Streptomyces chartreusis: BAA90771, arabinofuranosidase I; Strepto-myces coelicolor A3(2): CAA20794, ORF SCI35.05c; CAB86096, AbfA; Streptomyces lividans 66: AAA61708, AbfA; T xylanilyticus D3: CAA76421, AbjA; Thermotoga maritima: AAD35369, ORF TM0281).

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Purification of recombinant CelB and CelBtrunc

Recombinant full-length CelB could be purified by Ni-NTA

affinity chromatography provided that 0.1% Tween 20 or

0.5% Triton X-100 were present throughout the purification

procedure to keep the protein in solution Routinely, 18 mg

of purified CelB exhibiting a CMCase activity of

11.4 UÆmg)1 (average of two independent preparations)

were obtained from a 1-L culture of E coli TOP 10

(pKE101) (Fig 3, lane 2)

CelBtrunc, lacking the C-terminal 203 amino acids was

purified from E coli strain TOP 10 (pKE2201) by

essen-tially the same procedure but in the absence of detergent

(Fig 3, lane 3) The protein displayed a similar activity

towards CMC of 10.1 UÆmg)1(average of two independent

preparations), strongly suggesting that the C-terminal

portion is dispensable for activity Thus, further

character-ization of the enzymatic properties was carried out

predominantly with CelBtrunc

pH and temperature dependence

CelBtruncwas most active at pH 4 but still displayed 50% of

its activity at pH 3 and 5, respectively, while no activity was

recorded at pH values below 2 or above 6.5 Wild-type CelB

behaved similarly (Fig 5A) Likewise, CelBtrunc and the

wild-type protein basically exhibited the same temperature

dependence with an optimum at 80C No activity was

found at 100C or b elow 40 C The optimum curve of the

recombinant protein is broader than that of the wild-type

for unknown reasons (Fig 5B) Together, the pH and

temperature dependence of the enzyme reflect the

environ-mental conditions to which A acidocaldarius is exposed

pH and temperature stability

CelBtruncalso displayed remarkable tolerance to acidic pH,

being stable (80% residual activity) overnight at pH values

ranging from 1.5 to 7 Increasing alkaline conditions

irreversibly inactivated the enzyme (Fig 6A) CelBtrunc

was considerably stable at 80C, still exhibiting 60% of

the control activity after 1 h Preincubation at 70C for that

amount of time even stimulated the activity In contrast, a

10-min incubation at 90C prior to assaying the residual

activity resulted in complete inactivation of the enzyme

(Fig 6B)

Enzymatic properties and substrate specificity

Determination of kinetic parameters of CelBtrunc using

CMC as substrate yielded a Kmof 0.35 mgÆmL)1and a Vmax

of 10.8 UÆmg)1, resulting in a kcatof 0.881 min)1

Under standard conditions, optimal activity was obtained

in the presence of Ca2+ and Mg2+ions (10 mM each)

Omitting the bivalent cations decreased the activity by 50%

A small stimulating effect in the presence of these cations

was also described for AbfA from GH family 51 [37] In

contrast, 10 mMZn2+caused a 78% inhibition of CelBtrunc

activity Inhibition by Zn2+is typical of many GHs [38,39],

but not of all members of family 51 [37,40]

Apart from CMC, CelBtruncwas also found to hydrolyze

phosphoric acid-swollen cellulose (0.81 UÆmg)1) and, like

the wild-type protein, showed activity towards oat spelt xylan (0.6 UÆmg)1) In contrast, no activity was found with crystalline cellulose (Avicel PH101), birchwood xylan, starch and, most strikingly, with arabinan, linear arabinan

or pNPAraf, in spite of the described sequence similarity to other arabinofuranosidases

In order to discriminate an endo or exo mode of action degradation of CMC and oat spelt xylan by CelBtrunc was analyzed by TLC A time course showed that in the initial reaction only high molecular mass products were released from oat spelt xylan (Fig 7A) The appearance of disaccharides (xylobiose and cello-biose in the case of oat spelt xylan and cellocello-biose in the case of CMC) as final degradation products was only observed at a high enzyme concentration (80 lgÆmL)1) (Fig 7B,C)

To confirm the endowise action of the enzyme, its hydro-lytic properties were investigated using linear cello- and xylooligomers as substrates Cellobioside and xylobioside, respectively, were the final products (Fig 7D) Interestingly,

a G3 and an X4 intermediate were formed from cellotetra-ose and xylopentacellotetra-ose, respectively, although in both cases

Fig 5 pH and temperature optima of wild-type CelB (d) and recom-binant CelB trunc (j) (A) pH optimum Cellulase activity was assayed under standard conditions at 70 C at the indicated pH values Glycine (pH 1–3) and citrate phosphate (pH 3–7) were used as buffers Control activities (100%) for wild-type CelB and CelB trunc were 12.2 and 10.8 UÆmg)1, respectively (B) Temperature optimum Cellulase activity was assayed at pH 3.5 for 30 min Control activities (100%) for wild-type CelB and CelB trunc were 8.8 and 8.1 UÆmg)1, respectively.

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no glucose could be detected (Fig 7D) This might be due to

a possible transglycosidase activity of the enzyme under the

experimental conditions used Such an activity is not

uncommon to glycosidases that, like those grouped in

family 51, hydrolyze their substrates by a retaining cleavage

mechanism [41–43] The appearance of weak spots

repre-senting larger products than the starting substrates cello- or

xylopentaose might be taken as further indication for the

above notion (Fig 7D) Together, we conclude that CelB

has the hallmark qualities of an endoglucanase which acts

mainly on CMC and noncrystalline cellulose but is also

capable of hydrolyzing xylan

Discussion

A cell-associated 100-kDa protein (CelB) with

xylan-degra-ding activity could be extracted with Triton X-100 from

A acidocaldariuscells grown on oat spelt xylan Purification

and characterization of both wild-type and recombinant

forms of the protein demonstrated it to be a thermoacido-philic endoglucanase, with activities against CMC, acid-swollen cellulase and oat spelt xylan The protein is remarkably stable at acidic pH and temperatures up to

80C

These thermoacidophilic properties are in line with the growth characteristics of the organism which reflect its natural habitat How tolerance to acidic pH is achieved in proteins is poorly understood Schwermann et al [44] observed that acidophilic proteins possess a reduced density

of both positively and negatively charged residues at their surface and proposed that this phenomenon might contri-bute to acidostability by preventing electrostatic repulsion at

Fig 6 pH and temperature stability of CelB trunc (A) pH stability.

Enzyme was incubated overnight at 4 C in the indicated buffers after

which residual acitivity was assayed under standard conditions

Con-trol activity (100%) was 8.7 UÆmg)1 See Experimental procedures for

details (B) Temperature stability Enzyme was incubated at 70 (j), 80

(m) or 90 C (·) for the indicated times and residual activity was

measured under standard conditions Control activity prior to heat

treatment (100%) was 11.7 UÆmg)1.

Fig 7 TLCanalysis of degradation products of various substrates after incubation with CelB trunc (A) Time course of degradation products of 0.25% xylan at an enzyme concentration of 16 lgÆmL)1(B) Hydro-lysis of xylan at high enzyme concentrations (80 lgÆmL)1, underlined) (C) Extensive hydrolysis of 0.5% CMC (D) Hydrolysis (1 h) of oligosaccharides (10 m M ) at an enzyme concentration of 16 lLÆmL)1 Arrows indicate G3 and X4 intermediates that might have arosen from degradation of larger transglycosylation products Possible transgly-cosylation products larger than the starting substrates are marked by asterisks Substrate blanks (–) were incubated along with the samples Numbers give incubation time in minutes M, marker; G, glucose; C, cellobiose; G4, cellotetraose; G5, cellopentaose; X, xylose; X2 xylo-biose; X5, xylopentaose.

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low pH To test this hypothesis, we compared the amino

acid composition of the catalytic domain of CelB with those

from two other members of GH family 51, EGF from

F succinogenes and AbjA (Genpept accession number

CAA76421) from the thermophile Thermobacillus

xylani-lyticus EGF has a pH and temperature optimum of 5.3 and

40C, respectively [31] For AbjA, the respective values are

pH 5.9 and 75C [40] CelB displayed a lower percentage of

charged amino acids, especially lysine and arginine, which

were reduced by 10.1% together compared with EGF and

6.4% in comparison with AbjA On the other hand, CelB

contains a higher percentage of alanine and proline and of

uncharged polar residues Thus, these data are at least not in

contradiction to the above notion

Wild-type and full-length recombinant CelB were found

to be soluble only in the presence of detergent, while the

truncated form of the protein (CelBtrunc), lacking the

C-terminal 203 residues was readily soluble in buffer A

hydropathy plot of the protein is consistent with this

observation, predicting a C-terminal hydrophobic region

encompassing residues 700–900 (not shown)

Further-more, CelBtrunc exhibited the same pH and temperature

dependence as the wild-type protein, suggesting that the

C-terminal fragment is not essential for catalysis Rather,

these data point to a role in cell association, possibly by

specific protein–protein interaction with the S-layer of the

organism [45], although sequence analysis did not

iden-tify a typical S-layer binding domain [46] A possible

approach to confirm this notion would be to determine

the cellular localization of homologously expressed

C-terminally truncated variants of CelB Unfortunately,

such experiments are not feasible due to the fact that

A acidocaldarius cannot yet be manipulated by genetic

means However, some evidence in support of the above

notion is provided by a study on an a-amylase (AmyA)

from the same organism Like CelB, AmyA remains

attached to the cells during exponential growth [44], and is

only released into the medium as the culture approaches

the stationary phase Moreover, the cell-associated form

of the enzyme is extractable by Triton X-100

Interest-ingly, a hydropathy plot of AmyA [47] revealed a

hydrophobic N-terminal region ( residues 110–340)

(not shown) to which a function has not yet been

assigned

High activity of CelB against CMC and TLC analysis of

the time course with initial production of high molecular

mass products from CMC and oat spelt xylan characterize

the enzyme as an endoglucanase Except for birchwood

xylan, these activities are in line with induction of celB gene

expression when grown on these substrates However,

birchwood xylan is highly acetylated [48], which may cause

steric hindrance resulting in low activity of CelB against this

substrate even though it leads to gene expression

Together, these data suggest that the enzyme may play a

role in the degradation of both cellulose and xylan in vivo

This is further underlined by the fact that hydrolysis of xylan

and CMC by CelB leads to formation of disaccharides,

albeit at high enzyme concentrations Consequently,

com-plete degradation of the substrates will likely require

cooperative efforts of CelB with other glycoside hydrolases

Indeed, zymogram analysis demonstrated the presence of

additional protein bands with CMCase and xylanase activity

in the Triton X-100 extract (Fig 2A) The resulting oligo-saccharides may then be transported into the cytoplasm and subsequently hydrolyzed by enzymes such as CelA [9]

In terms of substrate specificity CelB is similar only to one other member of GH family 51, an endoglucanase (EGF) from F succinogenes Like CelB, EGF has no activity on pNPAraf This is also in contrast to all other memb ers of this family for which such an activity was tested [33,40, 49,50,51] Only in the case of AbfA from Geobacillus ste-arothermophilus T-6 [37], a very low activity on CMC (0.08% of the arabinofuranosidase activity) was reported This remarkable finding is further corroborated by the fact that, based on sequence comparison of their catalytic domains, CelB and EGF form a distinct cluster within family 51, although both enzymes differ in their pH- and temperature optima Thus, substrate specificity seems to put more constraints on the sequence than do pH and temperature adaptation EGF and CelB are examples of divergent evolution in a family of proteins which results in new substrate specificity

Acknowledgments

The authors thank Gabriele Brune for excellent technical assistance, Evert Bakker and Sylke Wilken (University of Osnabru¨ck) for contributions in the initial stage of this work, and Roland Schmid (University of Osnabru¨ck) for performing N-terminal sequence analyses This work was supported by the Fonds der Chemischen Industrie and by a fellowship (to K E.) of the Deutsche Bundesstiftung Umwelt (DBU).

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