Structure of PDB 8feu Chain B Binding Site BS01

Receptor Information
>8feu Chain B (length=334) Species: 4558 (Sorghum bicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTACVTGGSGYIGSALIKLLLEKGYAVKTTVRNPDDMEKNSHLKDLQKL
GPLTVFRADMDEEGSFDDAVAGCDYVFLVAAPLHFEAQDPEKEQIEPAIQ
GTLNTMRSCVKAGTVRRVILTSSVAAVYFRPDLLGDGHGHVLDEDSWSDV
DFLRAHKPPTWSHCVSKVLLEKEAGRFAEEHGISLVTILPVIVVGAAPAP
KARSSIVDCLSMLSGDEAGLAMLRAIQKTSGEVQLVHVDDLCRAELFLAE
NATANGRYICSRYHPTLVELATFLAQKYPQYGVKPTDFDDEERPRVTMSL
EKLIREGFEYKHNTLEEIYDNVVEYGKALGILPY
Ligand information
Ligand IDNAR
InChIInChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
InChIKeyFTVWIRXFELQLPI-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O
CACTVS 3.341Oc1ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O
ACDLabs 10.04O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3O
CACTVS 3.341Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2
FormulaC15 H12 O5
NameNARINGENIN
ChEMBLCHEMBL9352
DrugBankDB03467
ZINCZINC000000156701
PDB chain8feu Chain B Residue 401 [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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PDB8feu Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		S133 V134 H173 D218 Q244
Binding residue
(residue number reindexed from 1)		S123 V124 H163 D208 Q234
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor

View graph for
Molecular Function
External links
PDB RCSB:8feu, PDBe:8feu, PDBj:8feu
PDBsum8feu
PubMed37762209
UniProtC5YGL7

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