Structure of PDB 8fev Chain B Binding Site BS01

Receptor Information
>8fev 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 IDDQH
InChIInChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
InChIKeyCXQWRCVTCMQVQX-LSDHHAIUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O
CACTVS 3.341O[CH]1[CH](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
ACDLabs 10.04O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O
CACTVS 3.341O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
OpenEye OEToolkits 1.5.0c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
FormulaC15 H12 O7
Name(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE;
(2R,3R)-TRANS-DIHYDROQUERCETIN
ChEMBLCHEMBL66
DrugBankDB02224
ZINCZINC000100018343
PDB chain8fev 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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PDB8fev Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		V134 Y138 I202 S215 D218 I236 Q244
Binding residue
(residue number reindexed from 1)		V124 Y128 I192 S205 D208 I226 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:8fev, PDBe:8fev, PDBj:8fev
PDBsum8fev
PubMed37762209
UniProtC5YGL7

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