Structure of PDB 2c1x Chain A Binding Site BS01

Receptor Information
>2c1x Chain A (length=434) Species: 29760 (Vitis vinifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPHVAVLAFPFSTHAAPLLAVVRRLAAAAPHAVFSFFSTSQSNASIFQCN
IKSYDISDGVPEGYVFAGRPQEDIELFTRAAPESFRQGMVMAVAETGRPV
SCLVADAFIWFAADMAAEMGVAWLPFWTAGPNSLSTHVYIDEIREKIGVS
GIQGREDELLNFIPGMSKVRFRDLQEGIVFGNLNSLFSRMLHRMGQVLPK
ATAVFINSFEELDDSLTNDLKSKLKTYLNIGPFNLITGCLQWLKERKPTS
VVYISFGTVTTPPPAEVVALSEALEASRVPFIWSLRDKARVHLPEGFLEK
TRGYGMVVPWAPQAEVLAHEAVGAFVTHCGWNSLWESVAGGVPLICRPFF
GDQRLNGRMVEDVLEIGVRIEGGVFTKSGLMSCFDQILSQEKGKKLRENL
RALRETADRAVGPKGSSTENFITLVDLVSKPKDV
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 chain2c1x Chain A Residue 1457 [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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PDB2c1x Structure of a Flavonoid Glucosyltransferase Reveals the Basis for Plant Natural Product Modification.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T19 T280 S306 W332 A333 Q335 H350 G352 N354 S355 E358
Binding residue
(residue number reindexed from 1)		T13 T258 S284 W310 A311 Q313 H328 G330 N332 S333 E336
Annotation score3
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:2c1x, PDBe:2c1x, PDBj:2c1x
PDBsum2c1x
PubMed16482224
UniProtP51094|UFOG_VITVI Anthocyanidin 3-O-glucosyltransferase UFGT (Gene Name=UFGT)

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