Structure of PDB 2c1z Chain A Binding Site BS01

Receptor Information
>2c1z Chain A (length=439) Species: 29760 (Vitis vinifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNPHVAVLAFPFSTHAAPLLAVVRRLAAAAPHAVFSFFSTSQSNASIFHD
HTMQCNIKSYDISDGVPEGYVFAGRPQEDIELFTRAAPESFRQGMVMAVA
ETGRPVSCLVADAFIWFAADMAAEMGVAWLPFWTAGPNSLSTHVYIDEIR
EKIGVSGIQGREDELLNFIPGMSKVRFRDLQEGIVFGNLNSLFSRMLHRM
GQVLPKATAVFINSFEELDDSLTNDLKSKLKTYLNIGPFNLITGCLQWLK
ERKPTSVVYISFGTVTTPPPAEVVALSEALEASRVPFIWSLRDKARVHLP
EGFLEKTRGYGMVVPWAPQAEVLAHEAVGAFVTHCGWNSLWESVAGGVPL
ICRPFFGDQRLNGRMVEDVLEIGVRIEGGVFTKSGLMSCFDQILSQEKGK
KLRENLRALRETADRAVGPKGSSTENFITLVDLVSKPKD
Ligand information
Ligand IDKMP
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
InChIKeyIYRMWMYZSQPJKC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
CACTVS 3.341Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
ACDLabs 10.04O=C1c3c(OC(=C1O)c2ccc(O)cc2)cc(O)cc3O
FormulaC15 H10 O6
Name3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE;
KAEMPHEROL
ChEMBLCHEMBL150
DrugBankDB01852
ZINCZINC000003869768
PDB chain2c1z Chain A Residue 1456 [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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PDB2c1z Structure of a Flavonoid Glucosyltransferase Reveals the Basis for Plant Natural Product Modification.
Resolution1.9 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 Q77 F114 H143 Q181 F193 F356 D358
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:2c1z, PDBe:2c1z, PDBj:2c1z
PDBsum2c1z
PubMed16482224
UniProtP51094|UFOG_VITVI Anthocyanidin 3-O-glucosyltransferase UFGT (Gene Name=UFGT)

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