Structure of PDB 2vg8 Chain A Binding Site BS01

Receptor Information
>2vg8 Chain A (length=465) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPHVAIIPSPGMGHLIPLVEFAKRLVHLHGLTVTFVIAGEGPPSAQRTVL
DSLPSSISSVFLPPVDLTDLSSSTRIESRISLTVTRSNPELRKVFDSFVE
GGRLPTALVVDLFGTDAFDVAVEFHVPPYIFYPTTANVLSFFLHLPKLDE
TVSCEFRELTEPLMLPGCVPVAGKDFLDPAQDRKDDAYKWLLHNTKRYKE
AEGILVNTFFELEPNAIKALQEPGLDKPPVYPVGPLVNIGKQEESECLKW
LDNQPLGSVLYVSFGSGGTLTCEQLNELALGLADSEQRFLWVIRSPSGIA
NSSYFDSHSQTDPLTFLPPGFLERTKKRGFVIPFWAPQAQVLAHPSTGGF
LTHCGWNSTLESVVSGIPLIAWPLYAEQKMNAVLLSEDIRAALRPRAGDD
GLVRREEVARVVKGLMEGEEGKGVRNKMKELKEAACRVLKDDGTSTKALS
LVALKWKAHKKELEQ
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 chain2vg8 Chain A Residue 1477 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vg8 Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		I21 G276 S277 W346 A347 Q349 H364 G366 N368 S369 E372
Binding residue
(residue number reindexed from 1)		I16 G265 S266 W335 A336 Q338 H353 G355 N357 S358 E361
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.-
2.4.1.218: hydroquinone glucosyltransferase.
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0035251 UDP-glucosyltransferase activity
GO:0050505 hydroquinone glucosyltransferase activity
Biological Process
GO:0006805 xenobiotic metabolic process
GO:0009636 response to toxic substance
GO:0009809 lignin biosynthetic process
GO:0042178 xenobiotic catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2vg8, PDBe:2vg8, PDBj:2vg8
PDBsum2vg8
PubMed18077347
UniProtQ9M156|U72B1_ARATH UDP-glycosyltransferase 72B1 (Gene Name=UGT72B1)

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