Structure of PDB 1f6d Chain B Binding Site BS01

Receptor Information
>1f6d Chain B (length=372) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVLTVFGTRPEAIKMAPLVHALAKDPFFEAKVCVTAQHREMLDQVLKLF
SIVPDYDLNIQGLTEITCRILEGLKPILAEFKPDVVLVHGDTTTTLATSL
AAFYQRIPVGHVEAGLRTGDLYSPWPEEANRTLTGHLAMYHFSPTETSRQ
NLLRENVADSRIFITGNTVIDALLWVRDQVMSSDKLRSELAANYPFIDPD
KKMILVTGHRRESFGRGFEEICHALADIATTHQDIQIVYPVHLNPNVREP
VNRILGHVKNVILIDPQEYLPFVWLMNHAWLILTDSGGIQEEAPSLGKPV
LVMRDTTERPEAVTAGTVRLVGTDKQRIVEEVTRLLKDENEYQAMSRAHN
PYGDGQACSRILEALKNNRISL
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain1f6d Chain B Residue 2377 [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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PDB1f6d The structure of UDP-N-acetylglucosamine 2-epimerase reveals homology to phosphoglycosyl transferases.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R10 P11 I14 H213 Q271 Y273 F276 S290 G291 E296
Binding residue
(residue number reindexed from 1)		R10 P11 I14 H209 Q267 Y269 F272 S286 G287 E292
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D95 E117 E131 H213 R215 H246
Catalytic site (residue number reindexed from 1) D91 E113 E127 H209 R211 H242
Enzyme Commision number 5.1.3.14: UDP-N-acetylglucosamine 2-epimerase (non-hydrolyzing).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008761 UDP-N-acetylglucosamine 2-epimerase activity
GO:0016853 isomerase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0009246 enterobacterial common antigen biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1f6d, PDBe:1f6d, PDBj:1f6d
PDBsum1f6d
PubMed11106477
UniProtP27828|WECB_ECOLI UDP-N-acetylglucosamine 2-epimerase (Gene Name=wecB)

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