Structure of PDB 7vlb Chain A Binding Site BS01

Receptor Information
>7vlb Chain A (length=385) Species: 96241 (Bacillus spizizenii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHISMINIPAYGHVNPTLALVEKLCEKGHRVTYATTEEFAPAVQQAGGEA
LIYHTSLNIDPKQIREMMEKNDATLSLLKESLSILPQLEELYKDDQPDLI
IYDFVALAGKLFADKLNVPVIKLCSSYAQNESFQLGNEDMLKKIKEAEAE
FKAYLEQEQLPAVSFEQLAVPEALNIVFMPKSFQIQHETFDDRFCFVGPS
LGKRTEQESLLIDKGDRPLMLISLGTAFNAWPEFYKMCIDAFRDSSWQVI
MSVGKSIDPESLDDTPANFTIRQSVPQLEVLAKADLFISHGGMNSTMEAM
NAGVPLVVIPQMYEQELTAKRVDELGLGVYLQREEVTVSKLQEAVQAVSG
DQELLSRVKSMQKDVKEAGGAERAAAEIEAFMKKS
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 chain7vlb Chain A Residue 401 [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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PDB7vlb Crystal structure of UGT109A1 from Bacillus
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G15 R207 T229 S255 V278 Q280 H293 G295 N297 S298 E301
Binding residue
(residue number reindexed from 1)		G12 R204 T226 S252 V275 Q277 H290 G292 N294 S295 E298
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008194 UDP-glycosyltransferase activity
GO:0016740 transferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7vlb, PDBe:7vlb, PDBj:7vlb
PDBsum7vlb
PubMed
UniProtA0A289QH46

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