Structure of PDB 8i94 Chain B Binding Site BS01

Receptor Information
>8i94 Chain B (length=435) Species: 79376 (Nemophila menziesii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HVFLVSAPGQGNVTPMLRLAKSLASKGLLVTFSTPESYGKEMRKTNPILI
GEGSIRFEFLDDEWDENLDAYATHLERVGKQNLPRMFKKHEEEGRPISCI
INNPFIPWVPEVAESLGIPSALLWVQSCASFSSYYHFFNDLVSFPTESNL
KKDVCLPSMPMLKYDEVPLLLYPIVPLPIISLKNAMLRQQKNLSKTFCVL
VDTFQQLEDELIHYLSKLCPIRPIGPLFKISDTADDCIEWLDSKSPSSVV
YISFGSIVHLKQEQITEIAYALMNINISFLWVMKPPKQHVLPQGFLEKVG
EKGKVVKWSPQEQVLSHQSLACFVTHCGWNSSMEALANGIRVVTLPQWGD
QVTNAKFLVDVFGVGVRLSRGDLEDRIIPREEIELRLLEVTSGEKATEMK
HNALRWKKAAEEAVAKDGSSSKNLQEFVDELNNFR
Ligand information
Ligand IDLU2
InChIInChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
InChIKeyIQPNAANSBPBGFQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3
OpenEye OEToolkits 1.7.6c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
ACDLabs 12.01O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O
FormulaC15 H10 O6
Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one;
Luteolin
ChEMBLCHEMBL151
DrugBankDB15584
ZINCZINC000018185774
PDB chain8i94 Chain B 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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PDB8i94 Structural insight into ligand recognition of flavone glucosyltransferases in Nemophila menziesii
Resolution2.43 Å
Binding residue
(original residue number in PDB)		I200 I289 W386
Binding residue
(residue number reindexed from 1)		I179 I257 W348
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8i94, PDBe:8i94, PDBj:8i94
PDBsum8i94
PubMed38346547
UniProtA0A292GEP7

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