Structure of PDB 7d3b Chain A Binding Site BS02

Receptor Information
>7d3b Chain A (length=288) Species: 292800 (Flavonifractor plautii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKILGISGGMRNGSNDGMCIEALMGAKEMGAEVEFIQLQNLHIEHCTDDF
DWLLDKMLDADGIVFSTPIFEKGATGLFHTITDRFGPRMDRGNNIIGTKI
AEETGGTAPDPRILKDKVISFMSVGGSDWVTRTQCDAGMLALTPMWKVID
NEVFPWALSILVEDERVARAHQIGRNIAEAAKDIEHAQYQGDAGVCPHCH
SRNFHLQDGKAICCLCGLEGEIHNEGGKYSFTFPAEQLEHAHDTLSGKFI
HGNDIKENTGKKIANMQTEKYKARQAAYRAFITATVPE
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 chain7d3b Chain A Residue 402 [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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PDB7d3b Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		G146 S147 L178
Binding residue
(residue number reindexed from 1)		G126 S127 L158
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:7d3b, PDBe:7d3b, PDBj:7d3b
PDBsum7d3b
PubMed33542233
UniProtG9YLX2

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