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Guanosine diphosphate-4-keto-6-deoxy- D -mannose reductaseNao Suzuki1, Yoshio Nakano1, Yasuo Yoshida1, Takashi Nezu2, Yoshihiro Terada2, Yoshihisa Yamashita3 and Toshihiko Koga1 1 Depart

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Guanosine diphosphate-4-keto-6-deoxy- D -mannose reductase

Nao Suzuki1, Yoshio Nakano1, Yasuo Yoshida1, Takashi Nezu2, Yoshihiro Terada2, Yoshihisa Yamashita3 and Toshihiko Koga1

1

Department of Preventive Dentistry and2Department of Prosthetic Dentistry I, Kyushu University Faculty of Dental Science, Fukuoka, Japan;3Department of Oral Health, Nihon University School of Dentistry, Tokyo, Japan

The serotype a-specific polysaccharide antigen of

Actinoba-cillus actinomycetemcomitansis an unusual sugar,

6-deoxy-D-talose Guanosine diphosphate (GDP)-6-deoxy-D-talose is

the activated sugar nucleotide form of 6-deoxy-D-talose,

which has been identified as a constituent of only a few

microbial polysaccharides In this paper, we identify two

genes encoding GDP-6-deoxy-D-talose synthetic enzymes,

GDP-a-D-mannose 4,6-dehydratase and

GDP-4-keto-6-deoxy-D-mannose reductase, in the gene cluster required for

the biosynthesis of serotype a-specific polysaccharide

anti-gen from A actinomycetemcomitans SUNYaB 75 Both

gene products were produced and purified from Escherichia

colitransformed with plasmids containing these genes Their

enzymatic reactants were analysed by reversed-phase HPLC (RP-HPLC) The sugar nucleotide produced from GDP-a-D-mannose by these enzymes was purified by RP-HPLC and identified by electrospray ionization-MS,1H nuclear magnetic resonance, and GC/MS The results indicated that GDP-6-deoxy-D-talose is produced from GDP-a-D-mannose This paper is the first report on the GDP-6-deoxy-D-talose biosynthetic pathway and the role of GDP-4-keto-6-deoxy-D-mannose reductase in the synthesis

of GDP-6-deoxy-D-talose

Keywords: Actinobacillus actinomycetemcomitans; 6-deoxy-talose; NMR; polysaccharide; serotype-specific antigen

Capsular polysaccharides are ubiquitous structures found

on the cell surfaces of a broad range of bacterial species The

polysaccharides often constitute the outermost layer of the

cell, and have been implicated as an important factor in the

virulence of many animal and plant pathogens These

molecules are prominent structurally, and are serologically

diverse antigens that are involved in pathogenic processes

and in mediating resistance to host defense mechanisms [1]

Actinobacillus actinomycetemcomitans is a nonmotile,

Gram-negative, capnophilic, fermentative coccobacillus

that has been implicated in the aetiology and pathogenesis

of localized juvenile periodontitis [2–4], adult periodontitis

[5], and severe nonoral human infections [6] Traditionally,

A actinomycetemcomitans strains were divided into five

serotypes (a, b, c, d and e)[7–9], but recently a new serotype,

f, was reported [10] The serologic specificity is defined by

the polysaccharides on the surface of the organism [11] and the serotype-specific polysaccharide antigens (SPAs)are the immunodominant antigens in the organism [12–16] Serotype a-specific polysaccharide antigen from A actino-mycetemcomitans is a 6-deoxy-D-talan composed of repeating disaccharide units, which are acetylated at the O-2 position of 1,3-linked 6-deoxy-D-talose: )3))6-deoxy-a-D-talose-(1–2))6-deoxy-a-D-talose-(1– [17,18] Bacterial extracellular polysaccharides consisting solely of 6-deo-xytalose are rare Except for the serotype a-specific polysaccharide antigen from A actinomycetemcomitans, the exopolysaccharide isolated from Pseudomonas plantarii strain DSM 6535 is the only reported homopolysaccharide

of 6-deoxy-D-talose [19] The repeating unit of the exopolysaccharide from P plantarii has a different struc-ture: it is a trisaccharide that is acetylated at the O-2 position of 1,3-linked 6-deoxy-D-talose: )3))6-deoxy-a-D -talose-(1–2))6-deoxy-a-D-talose-(1–2)-6-deoxy-a-D -talose-(1– Other SPAs of A actinomycetemcomitans also contain rare sugars as constituents of microbial polysaccharides; examples include D-fucose in serotype b-specific polysac-charide antigen [12] and 6-deoxy-L-talose in serotype c-specific polysaccharide antigen [17]

The mechanism for the biosynthesis of GDP-6-deoxy-D -talose, which is the activated sugar nucleotide form of 6-deoxy-D-talose, is unknown It is thought that GDP-6-deoxy-D-talose is formed from a-D-mannose-1-phosphate and GTP in three steps; the first two steps are common to the GDP-L-fucose, GDP-D-rhamnose, and GDP-L-colitose synthesis pathways, producing GDP-4-keto-6-deoxy-D -mannose (Fig 1)[20–22] a-D-Mannose-1-phosphate guanylyltransferase (ManC)combines a-

-mannose-1-Correspondence to Y Nakano, Department of Preventive Dentistry,

Kyushu University Faculty of Dental Science,

Fukuoka 812-8582, Japan.

Fax: + 81 92 642 6354, Tel.: + 81 92 642 6423,

E-mail: yosh@dent.kyushu-u.ac.jp

Abbreviations: ESI, electrospray ionisation; Gmd, GDP-a- D -mannose

4,6-dehydratase; Rmd, GDP-4-keto-6-deoxy- D -mannose reductase;

RP-HPLC, reversed-phase HPLC; SPA, serotype-specific

polysac-charide antigen.

Note: This work is dedicated in fondest memory to Prof T Koga,

whose influence as a mentor will be greatly missed and without whom

this work would not have been possible.

(Received 4 August 2002, revised 1 October 2002,

accepted 23 October 2002)

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phosphate with GTP to produce GDP-a-D-mannose Then,

GDP-a-D-mannose is converted into

GDP-4-keto-6-deoxy-D-mannose by GDP-a-D-mannose 4,6-dehydratase (Gmd)

GDP-D-rhamnose is then produced from

GDP-4-keto-6-deoxy-D-mannose by GDP-4-keto-6-deoxy-D-mannose

reductase (Rmd) GDP-6-deoxy-D-talose is a stereoisomer

of GDP-D-rhamnose at C4 GDP-6-deoxy-D-talose can be

synthesized by another GDP-4-keto-6-deoxy-D-mannose

reductase and the stereoselectivity of the reduction

deter-mines the direction of synthesis of these two

6-deoxyhex-oses However, neither the gene encoding the biosynthesis of

GDP-6-deoxy-D-talose nor its corresponding protein has

been found

Recently, we cloned and characterized a gene cluster

involved in the biosynthesis of SPA from A

actinomyce-temcomitansSUNYaB 75 (serotype a)(Fig 2A)[23] In a

protein database search the ORF9 product shared 52.0%

identity with the gmd gene product of Yersinia

pseudotu-berculosis[24] and the ORF7 product was 28.0% identical

with the rmd gene product of Pseudomonas aeruginosa [25]

We predicted that ORF9 and ORF7 encoded GDP-a-

-mannose 4,6-dehydratase and GDP-4-keto-6-deoxy-D -man-nose reductase in the biosynthesis of

GDP-6-deoxy-D-talose, respectively The gmd gene was subcloned into pIVEX2.3 and the tld gene was subcloned into pIVEX2.3MCS, and these gene products overproduced in Escherichia coliwere purified and characterized

Fig 2 Restriction map and genetic organization of the gene cluster responsible for the production of the SPA of A actinomycetemcomitans SUNYaB75 (serotype a) (A) and gel electrophoresis of recombinant enzymes purified from E coli strains transformed with the expression plasmids (B) (A)Closed arrows indicate ORFs The functions of the gene products predicted by homology search, the GC content of each ORF, and the SPA phenotypes caused by specific insertion mutants are shown in descending order below the restriction map A flag indicates the putative promoter The horizontal lines show the DNA fragments inserted into pMCL210 used for nucleotide sequencing Abbreviations: H, HindIII; E, EcoRI; A, Acc65I; Pa, PacI; Pm, PmeI; Tld, a putative GDP-4-keto-6-deoxy- D -mannose reductase; Ac-TRase, acetyltransferase; Gmd, GDP-a- D -mannose 4,6-dehydratase; XylR, xylose operon regulatory protein (B)Approximately 0.5 lg of each protein was incubated at 100 C in a water bath for 5 min with 0.1% (w/v)SDS and 1% (v/v)2-mercaptoethanol Each of the treated solutions was electrophoresed on a 12.5% SDS-polyacrylamide gel, which was stained with Coomassie Blue Lane 1, Purified gmd gene product (SUNYaB 75); lane 2, purified tld gene product; lane 3, purified gmd gene product (K12) The positions of molecular mass markers (kDa)are shown on the left.

Fig 1 Pathway for the synthesis of GDP- D -rhamnose, GDP- L -fucose,

and GDP-6-deoxy- D -talose from a-mannose-1-phosphate and GTP.

Asterisks above the parentheses indicate the genes encoding the

enzymes in A actinomycetemcomitans SUNYaB 75.

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

Bacterial strains, plasmids, and culture conditions

E coliDH5a (supE44 DlacU169 (/80 lacZDM15) hsdR17

recA1 endA1 gyrA96 thi-1 relA1)[26] was used for the DNA

manipulations and as the host strain for pIVEX2.3 and

pIVEX2.3MCS derivatives (Roche Molecular

Biochemi-cals) E coli ER2566 (F– k– fhuA2 (lon) ompT lacZ::T7

gene1 gal sulA11 D(mcrC-mrr)

114::IS10R(mcr-73::mini-Tn10-TetS)2 R(zgb-210::Tn10)(TetS) endA1 (dcm)) (New

England Biolabs)was grown as a host strain when the

IMPACT T7 One-Step Protein Purification System (New

England Biolabs)was used E coli strains were grown

aerobically in 2· TY medium at 37 C Ampicillin was

used at a final concentration of 50 lgÆmL)1 The DNA

fragments carrying the gmd and tld genes of A

actinomyce-temcomitans SUNYaB 75 were amplified by PCR using

pSAA212 [23] as a template pSAA212 contains a 10.6-kb

Acc65I fragment responsible for the biosynthesis of serotype

a-specific polysaccharide antigen in A

actinomycetemcom-itansSUNYaB 75

DNA manipulation, PCR, and sequencing techniques

DNA fragment preparation, agarose gel electrophoresis,

DNA labelling, ligation, and bacterial transformation were

performed using the methods described by Sambrook et al

[26] PCR amplification was performed using T3

Thermo-cycler (Biometra, Go¨ttingen, Germany) Sequencing was

performed using an ABI 373A or an ABI PRISM 310

DNA sequencer (Applied Biosystems)

Construction of plasmid

Each DNA fragment carrying the gmd and tld genes of

A actinomycetemcomitansSUNYaB 75 was amplified by

PCR using pSAA212 [23] as a template To construct

plasmids for gene expression and protein purification, the

following sets of primers were designed to introduce

appropriate restriction sites for subcloning: to subclone

the gmd gene into the vector pIVEX2.3, 5¢-CGCG

CCATGGTGAAAACAGCAATTGTAACT-3¢ (NcoI)

and 5¢-GCGCCCCGGGAAAAGAAAAACC-3¢ (SmaI);

and to subclone the tld gene into the vector pIVEX2.3MCS,

5¢-GCGCCATATGAAAATCTTAGTA-3¢ (NdeI)and

5¢-GCGCCCCGGGAATCGAAAGCTC-3¢ (SmaI) Each

PCR product was purified using a QIAquick PCR

Purifi-cation Kit (QIAGEN GmbH)and, after double digestion

with the appropriate restriction enzymes, directly ligated

into the vector plasmid, which had been cleaved with the

same enzymes Plasmids containing the gmd and tld genes

bound to a His6-tag were constructed using the vectors

pIVEX2.3 and pIVEX2.3MCS, respectively The DNA

fragment carrying the gmd gene of E coli K12 was

amplified by PCR using chromosomal DNA of E coli

DH5a as a template with the following primers:

5¢-CGCGCATATGTCAAAAGTCGCTCTCATC-3¢ (NdeI)

and 5¢-ATATCCCGGGTGACTCCAGCGCGATCGC-3¢

(SmaI) After purification and double digestion with NdeI

and SmaI, the fragment was directly ligated into NdeI–SmaI

double-digested pTYB2 vector (New England Biolabs)

Enzyme purification

To purify the gmd and tld proteins bound to the His6 -tag, E coli DH5a harbouring the expression plasmids was grown in 50 mL 2· TY cultures supplemented with

50 lgÆmL)1 ampicillin at 37C for 16 h After the cells had been harvested and disrupted by ultrasonication (Heat Systems-Ultrasonics Inc., Plainview, USA), cell extracts were obtained by centrifugation at 20 000 g for

20 min at 4C Purification was based on affinity chromatography using chelate-absorbent nickel–nitrilotri-acetic acid resin (Qiagen), which interacted with the His6 -tag To purify the gmd product in E coli K12, E coli ER2566 transformed pTYB2 containing the gmd gene was grown in 500 mL 2· TY broth with ampicillin at

37C to an optical density of 0.7 at 600 nm The culture was induced with 1 mM isopropyl-b-thiogalactopyrano-side The cells were harvested 4 h after induction and lysed by ultrasonication The cell extract was obtained by centrifugation at 20 000 g for 30 min at 4C Binding

of the fusion proteins to chitin beads via the intein/ chitin binding domain, cleavage of the fusion protein (in

20 mMTris/HCl, pH 8.0, 200 mM NaCl, 0.1 mM EDTA,

30 mM dithiothreitol at 4C), and elution of product were all carried out according to the manufacturer’s instructions

Enzyme assay The conversion of GDP-a-D-mannose to GDP-4-keto-6-deoxy-D-mannose or GDP-6-deoxy-D-talose was detected

by reversed-phase HPLC (RP-HPLC)(Waters, Milford, USA) The standard mixture contained 50 mM sodium phosphate buffer, pH 7.2, 12 mMMgCl2, 8 mMGDP-a-D -mannose, 12 mMNADPH, and 2 lg of the purified gene products per mL The reactions were performed in the same

one-pot assay and incubated at 37C for 3 h

Detection and purification of sugar nucleotides

by RP-HPLC Sugar nucleotides in the reaction mixtures of the gene products were identified using RP-HPLC as described by Albermann et al [27] Samples (10 lL)diluted 10-fold with distilled water were injected onto a TSKgel ODS-80Ts column (0.46· 15 cm; Tosoh, Tokyo, Japan)with a phosphate buffer [30 mM potassium phosphate, pH 6.0,

5 mM tetrabutylammonium hydrogen sulfate, 2% (v/v) acetonitrile] as the mobile phase at a flow rate of 1.0 mLÆmin)1at 40C The eluate was monitored with a

UV detector at 254 nm

The predictive GDP-6-deoxy-D-talose was pooled from repeated RP-HPLC runs on the ODS-80Ts column, as described by Tonetti et al [28] For collection 0.5M

KH2PO4 was used as the mobile phase to cut down the running time The fraction from each run was immediately cooled on ice to prevent degradation in 0.5MKH2PO4at room temperature After removing the excess phosphate by adding 4 vols cold 100% ethanol, the solution was freeze-dried using a DC41 freeze dryer (Yamato, Tokyo, Japan) and lyophilized The purified sugar nucleotide was stored at )30 C

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Electrospray ionization-MS (ESI/MS)

To remove completely the phosphate and replace the

solvent, RP-HPLC (HP 1100 Series; Hewlett-Packard)was

used The predictive GDP-6-deoxy-D-talose was

chroma-tographed on a TSKgel Super-ODS column (0.46· 5 cm;

Tosoh)with 0.1% formic acid as the mobile phase at a

flow rate of 0.2 mLÆmin)1 The eluate was monitored with

a UV detector at 254 nm The collected fractions were

used for ESI/MS with a Mariner Biospectrometry

Work-station (Perkin-Elmer, Norwalk, USA) The mass was

scanned from m/z 500–700 at a 90-V nozzle potential in

the positive ion mode by manual injection at a rate of

5.0 lLÆmin)1

1H NMR spectroscopy

Approximately 2-mg samples were dissolved in D2O and

freeze-dried again to remove any H2O completely; then

each sample in 0.5 mL of D2O was transferred to a 5-mm

NMR tube 1H NMR spectra were recorded with a

Bruker AM400 spectrometer (Rheistetten, Germany) The

measurements were made at 298 K The chemical shifts

were referenced to 3-(trimethylsilyl)propanesulfonic acid at

0.0 p.p.m The1H spectra of 64 scans were recorded with

presaturation of the HOD resonance at 4.72 p.p.m

Two-dimensional COSY measurement was also performed for

signal assignments

GC/MS

The predicted GDP-6-deoxy-D-talose was obtained by the

method described in Detection and purification of sugar

nucleotides by RP-HPLC The glycoside of serotype

a-specific polysaccharide antigen, which consists of only

6-deoxy-D-talose, was purified from an autoclaved extract

of A actinomycetemcomitans ATCC 29523 by the

method of Amano et al [12] The glycoside of serotype

c-specific polysaccharide antigen, which consists of only

6-deoxy-L-talose, was extracted from A

actinomycetem-comitans NCTC 9710 by the method of Yoshida et al

[29]

Samples of 2 mg were dissolved in 200 lL 0.1MHCl

The ampoules containing the solutions were sealed under

vacuum and heated at 80C for 1 h to hydrolyse them; they

were then dried to remove the water and HCl The pellets

were converted into the correspondingD

-(+)-2-octylglyco-side acetate by the method of Leontein et al [30] The sugar,

one drop of trifluoroacetic acid, and D-(+)-2-octanol

(300 lL)were transferred to an ampoule After sealing the

ampoule and heating it at 130C for 16 h, the ampoule

contents were evaporated at 55C Each product was kept

at 100C for 20 min in acetic anhydride-pyridine (1 : 1,

50 lL), and characterized by TurboMass GLC/MS

(Per-kin-Elmer)using a fused silica capillary column (CP Sil-88,

0.25 mm· 50 m; Chrompack Inc., Bridgewater, NJ, USA)

at 200C Approximately 5 lL of sample were injected, and

the split ratio was 1 : 20 Helium was used as the carrier gas

at a flow rate of 0.9 mLÆmin)1 Ionization was performed by

electron impact The fragment ionization peaks were

analysed under an ionization potential of 70 eV A library

search of mass chromatograms was performed using NIST

Search

R E S U L T S Purifying the enzymes involved in the synthesis

of GDP-6-deoxy-D-talose

To characterize the function of the gmd and tld gene products in A actinomycetemcomitans SUNYaB 75, the gene products were purified by affinity chromatography as described in detail in Experimental procedures The molecular masses of the denatured polypeptides, determined

by SDS/PAGE to be 38.9, 33.4, and 42.0 kDa agree with the predicted His6-tagged gmd (SUNYaB 75), His6-tagged tld, and gmd (K12)gene products, respectively (Fig 2B) The His6-tagged gmd and tld gene products were not completely homogeneous, as judged by SDS/PAGE To determine unequivocally the His6-tagged proteins, Western blotting was performed with RGS–His antibody (Qiagen) Single bands of the expectative sizes were observed speci-fically in both (data not shown)

Identifying GDP-6-deoxy-D-talose from GDP-a-D-mannose by RP-HPLC and ESI/MS analysis Conversion of GDP-a-D-mannose into GDP-sugars was detected by RP-HPLC (Fig 3) The elution profile of the reaction mixture containing GDP-a-D-mannose, NADPH, and the gmd gene product homologue from A actinomyce-temcomitansSUNYaB 75 (Fig 3B)or E coli K12 (Fig 3C) are shown GDP-4-keto-6-deoxy-D-mannose was detected

as a broad peak (42.0 min) Both reactions involving the gmd gene products halted after consuming some of the GDP-a-D-mannose, regardless of the addition of the proteins The peak that appeared at 24.0 min was in agreement with that of authentic NADP+ The reason why the NADP+ peak appeared in the gmd gene product reaction has been unidentified The retention time of the putative GDP-6-deoxy-D-talose was 36.0 min in the reac-tion mixture containing GDP-a-D-mannose, NADPH, and the gmd and tld gene products of A actinomycetemcomitans SUNYaB 75 (Fig 3D) To determine the mass of this final product, it was purified and analysed by ESI/MS (Fig 4) The peak in the ESI/MS spectrum of the product was at 590.1, which corresponds to the [M + H]+ion of GDP-6-deoxy-D-talose

1H NMR analysis of the structure of the purified GDP-6-deoxyhexose

Approximately 2 mg of the sugar nucleotide obtained from the enzyme assay using the gmd and tld gene products were pooled from several RP-HPLC runs on the ODS-80Ts After removing the excess phosphate by adding ethanol, the solution was concentrated by freeze-drying The concentrated solution was lyophilized and dissolved in D2O The NMR spectra of authentic GTP and GDP-a-D-mannose were also measured The spectra

of authentic GTP and GDP-a-D-mannose, and the sugar nucleotide are shown in Fig 5 Assignment of these resonances was verified in two-dimensional homonuclear

1H-1H COSY experiments (data not shown) The assigned chemical shifts and coupling constants are summarized in Table 1 The signals for the nucleotide moieties in the GDP-sugars were in good agreement with those of GDP

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The signals for H2¢ of the nucleotide moieties overlapped

that of HOD, and the H5¢¢ and H6¢¢ signals of the sugar

moieties of GDP-a-D-mannose also overlapped The

signals for the sugar moiety of the predicted

GDP-6-deoxy-D-talose were H6¢¢ (1.18 p.p.m., doublet), H4¢¢

(3.64 p.p.m., double doublet), H5¢¢ (3.88 p.p.m.,

multi-plet), H3¢¢ (3.91 p.p.m., double doublet), H2¢¢ (4.03 p.p.m.,

double doublet)and H1¢¢ (5.50 p.p.m., doublet) From the

observed coupling constants J(1,2)¼ 5.40 Hz,

J(2,3)¼ 3.40 Hz, J(3,4)¼ 6.36 Hz and J(4,5)¼ 1.96 Hz,

the orientations of H1¢¢, H2¢¢, H3¢¢, H4¢¢ and H5¢¢ are

estimated to be equatorial, equatorial, axial, equatorial

and axial, respectively This does not conflict with the

structure of GDP-6-deoxy-D-talose Moreover, the con-formation of –CH3was equatorial in this sugar nucleotide Since rhamnose has the corresponding coupling constants

of 1.5 (J(1,2)) , 3.5 (J(2,3)) , 9.5 (J(3,4)) , and 9.5 (J(4,5))Hz, which are totally different from the current ones [31], we can exclude the possibility that the product was GDP-D -rhamnose and can conclude that GDP-6-deoxy-D-talose was selectively synthesized In Table 1, the value of J(1,2) comes from H2¢¢, which did not agree with that from H1¢¢ The coupling constant J(1,2) must be identical, regardless

of whether it comes from H1¢¢ or H2¢¢ It is, however, possible that the neighbouring phosphate groups affect the coupling constant [32,33]

Determining the absolute configuration of the talosyl residue in the GDP-6-deoxytalose by GC/MS

Based on the coupling constants in the1H NMR spectra, we determined that the sugar nucleotide is GDP-6-deoxytalose However, the prediction that the absolute configuration of the talosyl residue in the GDP-6-deoxytalose isDwas not supported by direct evidence GC/MS was performed to prove the hypothesis The GDP-6-deoxytalose, the purified SPAs of A actinomycetemcomitans ATCC 29523 (serotype a)and NCTC 9710 (serotype c)were hydrolysed, and then the talosyl residues were detected asD-(+)-2-octylglycoside acetates Examination of the mass chromatogram library produced four fragment ion peaks from 6-deoxytalose for the talosyl residues of the GDP-6-deoxytalose and the SPA

of ATCC 29523 (Fig 6A and B) The four peaks were thought to be two pyranosides and two franosides The retention times (13.6, 23.5, 40.8, and 49.0 min)of the

Fig 3 RP-HPLC profiles during synthesis of GDP-6-deoxy- D -talose:

GDP-a- D -mannose (1), NADP (2), GDP-4-keto-6-deoxy- D -mannose

(3), and GDP-6-deoxy- D -talose (4) Samples were injected onto a

TSKgel ODS-80Ts column (A)No enzyme was added to the reaction

mixture (B)The purified His 6 -tagged gmd gene product of A

actino-mycetemcomitans SUNYaB 75 was added to the reaction mixture (C)

The purified gmd gene product of E coli K12 were added to the

reaction mixture (D)The purified His 6 -tagged gmd and tld gene

products were added to the reaction mixture.

Fig 4 The ESI/MS spectra for the authentic GDP-a- D -mannose (A) and the reaction product GDP-a- D -mannose, NADPH, and the gmd and tld gene products of A actinomycetemcomitans SUNYaB75 (B).

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GDP-6-deoxytalose agreed well with those (13.6, 24.0, 41.1,

and 49.3 min)of the SPA of ATCC 29523 (serotype a),

which is 6-deoxy-D-talan Conversely, the retention times

(13.1, 22.0, and 22.7 min)of the fragment ion peaks derived

from 6-deoxy-L-talose in the SPA of NCTC 9710 (serotype c)

did not agree with the other retention times (Fig 6C) Thus,

it was determined that the talose in GDP-6-deoxytalose had

theDabsolute configuration

D I S C U S S I O N Previously, we cloned and characterized the gene clusters responsible for the biosynthesis of SPAs of A actinomyce-temcomitansserotypes a, b, c, d, and e [23,29,34–36] The gene cluster associated with the synthesis of SPA in

A actinomycetemcomitansSUNYaB 75 (serotype a)con-tains 14 ORFs (Fig 2A) A protein database search was performed with the programsFASTA[37] andBLASTat the National Institute of Genetics, Mishima, Japan The products of 11 genes, ORF2–ORF12, were homologous

to bacterial gene products involved in the biosynthesis of extracellular polysaccharides Only the proteins encoded by ORF3 and ORF4, ABC transport proteins, showed high identities (64.0 and 73.0%, respectively)to the proteins enco-ded by ORFs in the clusters responsible for synthesizing the SPAs in other serotypes of A actinomycetemcomitans The biosynthetic pathway for GDP-6-deoxy- -talose,

Fig 5.1H NMR spectra of GTP (A) and GDP-a- D -mannose (B), and

the purified GDP-hexose converted from GDP-a- D -mannose by the gmd

and tld gene products (C) The inset shows an expansion of the H4¢–

H4¢¢ region.

Fig 6 Gas-liquid chromatograph spectra of the acetylated D -(+)-2-octyl glycosides obtained from the hydrolysate of the purified GDP-6-deoxytalose (A)Glycosides of the purified serotype a-specific poly-saccharide antigen (ATCC 29523) (B) Glycosides of the hydrolysate of the purified GDP-hexose converted from GDP-a- D -mannose by the gmd and tld gene products (C)Glycosides of the purified serotype c-specific polysaccharide antigen (NCTC 9710) Arrows indicate the fragment ion peaks from 6-deoxytalose for the talosyl residues.

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which is the activated nucleotide sugar form of 6-deoxy-D

-talose, is predicted to be quite different from the pathways

for the precursors of serotype b-, c-, d-, and e-specific

polysaccharide antigens [38] Insertional inactivation of

ORF2, 3 and ORF7 through ORF12 resulted in loss of

the ability of A actinomycetemcomitans SUNYaB 75 cells

to produce the polysaccharide In these genes the ORF2

product shared 58.0% identity with the manC gene

product in E coli [39] The manC gene product is a

a-mannose-1-phosphate guanylyltransferase, which

con-verts GTP and a-mannose-1-phosphate into

GDP-a-D-mannose The ORF9 product shared 52.0% identity

with the GDP-a-D-mannose 4,6-dehydratase of Y

pseu-dotuberculosis [24] In general, GDP-a-D-mannose

4,6-dehydratase is an important enzyme converting

GDP-a-D-mannose to GDP-4-keto-6-deoxy-D-mannose in

the pathway of GDP-L-fucose biosynthesis in many

bacteria, plants and mammals [40] The ORF7 product

had 28.0% homology to the rmd gene product of

P aeruginosa[25], which reduces GDP-4-keto-6-deoxy-D

-mannose to GDP-D-rhamnose [20] GDP-6-deoxy-D-talose

is a configrational isomer of GDP-D-rhamnose The rmd

gene product is a reductase that reduces the C4 position of

GDP-4-keto-6-deoxy-D-mannose to GDP-D-rhamnose,

and we postulated that ORF7 in A

actinomycetemcomi-tans SUNYaB 75 encodes another reductase producing

GDP-6-deoxy-D-talose from GDP-4-keto-6-deoxy-D

-man-nose, in spite of sharing low identity (28.0%) Several

consensus domains exist in the tld and rmd gene products

Among these, the structure YXXXK is an important

conserved structure within the short-chain dehydrogenase/

reductase family [41] In addition, both the tld and rmd

gene products contain an NAD-binding domain,

GXXGXXG, located near the N-terminus The tld gene

product can utilize either NADPH or NADH, although

NADPH is used efficiently (data not shown)

dTDP-4-keto-L-rhamnose reductase in the biosynthesis of

dTDP-6-deoxy-L-talose in A actinomycetemcomitans NCTC 9710

(serotype c)also preferred NADPH as a cofactor over

NADH [33] For NCTC 9710, the retention time of the

NADP+ peak overlapped that of the dTDP-6-deoxy-

-talose peak in RP-HPLC, and NADH was used as the coenzyme

The gmd and tld gene products in A actinomycetem-comitans SUNYaB 75 were obtained as His6-tagged proteins The enzymatic activities of the purified His6 -tagged gmd and tld gene products were determined by RP-HPLC analysis Previously, the gmd gene product with a His6-tag bound at its N terminus was found to be enzymatically inactive, perhaps because the multiple His-extender peptide affected its protein structure and altered the accessibility of the NADP+-binding site [27] Consid-ering this, we constructed plasmids with the His6-tag bound to the C terminus

We reported the pathways of dTDP-D-fucose (Y4)and dTDP-6-deoxy-L-talose (NCTC 9710)syntheses in

A actinomycetemcomitans, previously [32,33] Sugar nucleotides were detected and collected by RP-HPLC with 0.5MKH2PO4buffer as the mobile phase In this study, the retention time (5.1 min)of the GDP-6-deoxy-D-talose profile was close to that (5.0 min)of the GDP-4-keto-6-deoxy-D-mannose profile with 0.5M KH2PO4 buffer, in spite of the different shapes of the two peaks We could effectively collect the GDP-6-deoxy-D-talose quickly using 0.5M KH2PO4 buffer as the mobile phase By contrast, for detection, 30 mM potassium phosphate (pH 6.0) containing 5 mM tetrabutylammonium hydrogen sulfate and 2% acetonitrile was used as the mobile phase to definitely separate the products in the reaction mixture To confirm that the intermediate is GDP-4-keto-6-deoxy-D -mannose, the gmd gene product of E coli K12 was used The gmd gene of E coli has been characterized [39,40] The retention time of the product profile in the enzyme assay by the gmd gene product derived from A actino-mycetemcomitansSUNYaB 75 was obtained as broad peaks

at 42.0 min, which agree with those from E coli K12 (Fig 3B and C)

The conversion of GDP-a-D-mannose into GDP-4-keto-6-deoxy-D-mannose stopped when about 50% of the GDP-a-D-mannose was used up Addition of the protein was not effective in advancing the reaction Conversely,

in the one-pot assay almost complete conversion

Table 1 NMR spectroscopic identification of GTP, GDP-a- D -mannose, and GDP-a-6-deoxy- D -talose (s)Singlet, (d)doublet, (t)triplet, (dd)double doublet, (m)multiplet An asterisk indicates that the signal is broad and weakly coupling with H-5¢ ND, not determined.

Proton

Chemical shift

d (p.p.m.)

Chemical shift

d (p.p.m.)

Coupling constant

J (Hz)

Chemical shift

d (p.p.m.)

Coupling constant

J (Hz)

Trang 8

occurred It is possible that feedback inhibition of the

GDP-a-D-mannose 4,6-dehydratase occurs via the

GDP-6-deoxy-D-talose pathway in A actinomycetemcomitans

SUNYaB 75 In the enzyme assay using the purified

His6-tagged gmd and tld gene products in two successive

steps, the GDP-4-keto-6-deoxy-D-mannose was

com-pletely converted into GDP-6-deoxy-D-talose, but no

new GDP-4-keto-6-deoxy-D-mannose was produced (data

not shown) It is considered that when the tld gene

product was added, the gmd gene product might have

become inactive However, further detailed analysis has

not been carried out

In 1973, 6-deoxy-L-talose was characterized as an unusual

sugar, and the instability of dTDP-6-deoxy-L-talose, which

is the activated sugar nucleotide form of 6-deoxy-L-talose,

was reported [42] Furthermore, we reported that

dTDP-6-deoxy-L-talose was degraded in mild alkaline conditions

[33] GDP-6-deoxy-D-talose was more sensitive to alkaline

conditions and heat than dTDP-6-deoxy-L-talose For

example, after GDP-6-deoxy-D-talose collected from

ODS-80Ts was evaporated at room temperature using the

same method as for dTDP-6-deoxy-L-talose, the peak for

this sugar nucleotide disappeared from the RP-HPLC

elution profile (data not shown) In this study, freeze-drying

was used to concentrate the samples

GDP-4-keto-6-deoxy-D-mannose was also unstable Kneidinger et al reported

that the product produced from GDP-a-D-mannose by the

gmdgene product in A thermoaerophilus was unstable and

decomposed to form GMP and GDP, as judged by anion

exchange HPLC analysis [20]

The GC contents of the genes essential for SPA

biosynthesis in A actinomycetemcomitans SUNYaB 75

are lower than the average GC content (47.8%)of the

genes flanking them The GC contents of ORF2, ORF7,

and ORF9 were 37.2, 30.5 and 35.4%, respectively

(Fig 2A) It has been reported that genes encoding basic

cellular functions in A actinomycetemcomitans have an

average GC content of 48.0% [43] The GC content of the

region essential for the biosynthesis of SPA in the other

serotype strains (b–e)of A actinomycetemcomitans is also

lower than the average GC content of these genes (48.0%)

[29,34–36] A lower GC content has been found in gene

clusters involved in the synthesis of various bacterial

polysaccharides [44–46] These findings suggest the

inter-specific transfer of these genes from other species with a low

GC content to A actinomycetemcomitans [47]

In conclusion, we identified

GDP-4-keto-6-deoxy-D-mannose reductase, which converts

GDP-4-keto-6-deoxy-D-mannose into GDP-6-deoxy-D-talose in

A actinomycetemcomitansSUNYaB 75 (serotype a), and

revealed the enzymatic process involved in

GDP-6-deoxy-D-talose synthesis

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

This work was supported in part by a Grant-in-Aid for Encouragement

of Young Scientists 13771265 (Y N.), 14771185 (Y Yo.) and a

Grant-in-Aid for Developmental Scientific Research 12557186 (Y Ya.)from

the Ministry of Education, Culture, Sports, Science and Technology,

Tokyo, Japan, by a research grant from the Takeda Science

Foundation (Y N.), and by Research Fellowships from the Japan

Society for the Promotion of Science for Young Scientists 13010070

(N S.).

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