Structure of PDB 8inh Chain A Binding Site BS01

Receptor Information
>8inh Chain A (length=454) Species: 714518 (Ziziphus jujuba var. spinosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIHLFLVCFPAQGHINPMLRLAKRLAAKGLLITFSTTEHAGKDIRQANNI
IDDQLTPVGNGFIRFEFFEDDCIEDDPKRRDLDFYVPQLELKGKEFLPET
IKRHEKEGRPVFCFVNNPFIPWVCDVAEDLGIPCATLWIQSCAVFSCYYH
YFHKTVPFPSELDPSVDVQLPNLPLLEYDEIPSFLHPSSPYKILGTAILG
QFKNLSKSFCVLADTFDELEHEIIEGMSKFCKVKTVGPLFKNPKKADDCL
DWLDSKSPGSVVYISFGTIAYIKQEQVEEIAYGLLNSGVSFLWVMKPPDV
AFGYDLHVLPDGFMEKIGTRGKIVQWCPQEQVLAHPSVACFLTHCGWNST
VEALTSGVPVLAYPQWGDQVTNAKFLVDVYGVGVRLCRGEAENKVIPRDV
IGKALVEATVGKRAVELKENATRWKKAAEEAVAEGGSSDRNIQDFVEEIR
KRSG
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 chain8inh 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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PDB8inh Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di- O -glycosyltransferase from Ziziphus jujuba var. spinosa.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T284 W342 C343 Q345 H360 G362 N364 S365 E368
Binding residue
(residue number reindexed from 1)		T268 W326 C327 Q329 H344 G346 N348 S349 E352
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0080043 quercetin 3-O-glucosyltransferase activity
GO:0080044 quercetin 7-O-glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8inh, PDBe:8inh, PDBj:8inh
PDBsum8inh
PubMed37123177
UniProtA0A978UT44

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