Structure of PDB 2nzx Chain B Binding Site BS01

Receptor Information
>2nzx Chain B (length=338) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFQPLLDAYVESASIEKMASKSPPPLKIAVANWWGDEEIKEFKNSVLYFI
LSQRYTITLHQNPNEFSDLVFGNPQNAKRVFYTGENESPNFNLFDYAIGF
DELDFNDRYLRMPLYYDRLHHKAESVNDTTAPYKLKDNSLYALKKPSHCF
KEKHPNLCAVVNDESDPLKRGFASFVASNPNAPIRNAFYDALNSIEPVTG
GGSVRNTLGYNVKNKNEFLSQYKFNLCFENTQGYGYVTEKIIDAYFSHTI
PIYWGSPSVAKDFNPKSFVNVHDFKNFDEAIDYIKYLHTHKNAYLDMLYE
NPLNTLDGKAYFYQNLSFKKILAFFKTILENDTIYHDN
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain2nzx Chain B Residue 3002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2nzx Structure and mechanism of Helicobacter pylori fucosyltransferase. A basis for lipopolysaccharide variation and inhibitor design.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V186 A187 S188 N189 R195 V222 K223 K225 N240 E249 K250
Binding residue
(residue number reindexed from 1)		V176 A177 S178 N179 R185 V212 K213 K215 N230 E239 K240
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.152: 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase.
Gene Ontology
Molecular Function
GO:0008417 fucosyltransferase activity
Biological Process
GO:0006486 protein glycosylation
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2nzx, PDBe:2nzx, PDBj:2nzx
PDBsum2nzx
PubMed17251184
UniProtO30511|FUCT_HELPX Alpha-(1,3)-fucosyltransferase FucT (Gene Name=fucT)

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