Structure of PDB 7d3a Chain A Binding Site BS02

Receptor Information
>7d3a 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 IDAGI
InChIInChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
InChIKeyKZNIFHPLKGYRTM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 1.5.0c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
ACDLabs 10.04O=C1c3c(OC(=C1)c2ccc(O)cc2)cc(O)cc3O
FormulaC15 H10 O5
Name5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one;
Apigenin
ChEMBLCHEMBL28
DrugBankDB07352
ZINCZINC000003871576
PDB chain7d3a Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7d3a Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Resolution2.552 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:7d3a, PDBe:7d3a, PDBj:7d3a
PDBsum7d3a
PubMed33542233
UniProtG9YLX2

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