Structure of PDB 2vce Chain A Binding Site BS02

Receptor Information
>2vce Chain A (length=462) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPHVAIIPSPGMGHLIPLVEFAKRLVHLHGLTVTFVIAGEGPPSKAQRTV
LDSLPSSISSVFLPPVDLTDLSSSTRIESRISLTVTRSNPELRKVFDSFV
EGGRLPTALVVDLFGTDAFDVAVEFHVPPYIFYPTTANVLSFFLHLPKLD
ETVSCEFRELTEPLMLPGCVPVAGKDFLDPAQDRKDDAYKWLLHNTKRYK
EAEGILVNTFFELEPNAIKALQEPGLDKPPVYPVGPLVNIGKQEASECLK
WLDNQPLGSVLYVSFGSGGTLTCEQLNELALGLADSEQRFLWVIRSPSGI
ANSSYFQTDPLTFLPPGFLERTKKRGFVIPFWAPQAQVLAHPSTGGFLTH
CGWNSTLESVVSGIPLIAWPLYAEQKMNAVLLSEDIRAALRPRAGDDGLV
RREEVARVVKGLMEGEEGKGVRNKMKELKEAACRVLKDDGTSTKALSLVA
LKWKAHKKELEQ
Ligand information
Ligand IDTC7
InChIInChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKeyLHJGJYXLEPZJPM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc1cc(O)c(Cl)cc1Cl
OpenEye OEToolkits 1.5.0c1c(c(cc(c1Cl)Cl)Cl)O
CACTVS 3.341Oc1cc(Cl)c(Cl)cc1Cl
FormulaC6 H3 Cl3 O
Name2,4,5-trichlorophenol
ChEMBLCHEMBL109095
DrugBank
ZINCZINC000000002215
PDB chain2vce Chain A Residue 1478 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vce Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H19 L118 F119 L183 P185 Y315 A387 E388
Binding residue
(residue number reindexed from 1)		H14 L113 F114 L178 P180 Y305 A373 E374
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2vce, PDBe:2vce, PDBj:2vce
PDBsum2vce
PubMed18077347
UniProtQ9M156|U72B1_ARATH UDP-glycosyltransferase 72B1 (Gene Name=UGT72B1)

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