Structure of PDB 2c9z Chain A Binding Site BS02

Receptor Information
>2c9z Chain A (length=438) Species: 29760 (Vitis vinifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNPHVAVLAFPFSTHAAPLLAVVRRLAAAAPHAVFSFFSTSQSNASIFHT
MQCNIKSYDISDGVPEGYVFAGRPQEDIELFTRAAPESFRQGMVMAVAET
GRPVSCLVADAFIWFAADMAAEMGVAWLPFWTAGPNSLSTHVYIDEIREK
IGVSGIQGREDELLNFIPGMSKVRFRDLQEGIVFGNLNSLFSRMLHRMGQ
VLPKATAVFINSFEELDDSLTNDLKSKLKTYLNIGPFNLITGCLQWLKER
KPTSVVYISFGTVTTPPPAEVVALSEALEASRVPFIWSLRDKARVHLPEG
FLEKTRGYGMVVPWAPQAEVLAHEAVGAFVTHCGWNSLWESVAGGVPLIC
RPFFGDQRLNGRMVEDVLEIGVRIEGGVFTKSGLMSCFDQILSQEKGKKL
RENLRALRETADRAVGPKGSSTENFITLVDLVSKPKDV
Ligand information
Ligand IDQUE
InChIInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
ACDLabs 10.04O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O
FormulaC15 H10 O7
Name3,5,7,3',4'-PENTAHYDROXYFLAVONE;
QUERCETIN
ChEMBLCHEMBL50
DrugBankDB04216
ZINCZINC000003869685
PDB chain2c9z Chain A Residue 1458 [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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PDB2c9z Structure of a Flavonoid Glucosyltransferase Reveals the Basis for Plant Natural Product Modification.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S18 H20 Q84 F121 H150 Q188 F200 F372 D374
Binding residue
(residue number reindexed from 1)		S13 H15 Q75 F112 H141 Q179 F191 F354 D356
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.115: anthocyanidin 3-O-glucosyltransferase.
2.4.1.91: flavonol 3-O-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0047213 anthocyanidin 3-O-glucosyltransferase activity
GO:0047893 flavonol 3-O-glucosyltransferase activity
Biological Process
GO:0009718 anthocyanin-containing compound biosynthetic process
GO:0033303 quercetin O-glucoside biosynthetic process
GO:0033485 cyanidin 3-O-glucoside biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2c9z, PDBe:2c9z, PDBj:2c9z
PDBsum2c9z
PubMed16482224
UniProtP51094|UFOG_VITVI Anthocyanidin 3-O-glucosyltransferase UFGT (Gene Name=UFGT)

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