Structure of PDB 7vaa Chain A Binding Site BS01

Receptor Information
>7vaa Chain A (length=453) Species: 29780 (Mangifera indica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCPHVALLLSSGMGHLTPCLRFAATLVQHHCRVTIITNYPTVSVAESRAI
SLLLSDFPQITEKQFHLLPFDPSTANTTDPFFLRVEAIRRSAHLLNPLLS
SISPPLSALVIDSSLFSSFVPVAANLDLPSYVLFTSSTRMCSLEETFPAF
VASKTNFQLDDVIEIPGFSPVPVSSVPPVALNLNHLFTTMLIQNGQSFRK
ANGILINTFEALEGGILPGINDKRAADGLPPYCSVGPLLPCKFEKTECSA
PVKWLDDQPEGSVVYVSFGSHFALSSEQIKELGDGLIRSGCRFLWVVKCK
KVDQEDEESLDELLGRDVLEKIKKYGFVIKNWVNQQEILDHRAVGGFVTH
GGWNSSMEAVWHGVPMLVWPQFGDQKINAEVIERSGLGMWVKRWGWGTQQ
LVKGEEIGERIKDLMGNNPLRVRAKTLREEARKAIEVGGSSEKTLKELIE
NWK
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 chain7vaa Chain A Residue 501 [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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PDB7vaa Directed Evolution of a Plant Glycosyltransferase for Chemo- and Regioselective Glycosylation of Pharmaceutically Significant Flavonoids
Resolution3.10003 Å
Binding residue
(original residue number in PDB)		G22 G280 S281 W343 V344 Q346 H361 G363 N365 S366 E369
Binding residue
(residue number reindexed from 1)		G14 G269 S270 W332 V333 Q335 H350 G352 N354 S355 E358
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0035251 UDP-glucosyltransferase activity
GO:0042285 xylosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7vaa, PDBe:7vaa, PDBj:7vaa
PDBsum7vaa
PubMed
UniProtA0A0M4KE44|CGT_MANIN UDP-glycosyltransferase 13 (Gene Name=CGT)

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