Structure of PDB 8fio Chain A Binding Site BS01

Receptor Information
>8fio Chain A (length=335) Species: 4558 (Sorghum bicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKTACVTGGNGYIGSALIKMLLEEGYAVKTTVRNPDDMEKNSHLKGLQEL
GPLTVLRADMDEEGSLDDAVAGCDYAFLVAAPVNLWAQDPEKQQIEPSVR
GTLNAVRSCVKAGTVRRVILTSSAAGVYIRPDLQGDGHALDEDSWSDVDF
LRANKPPTWGYCVSKVLLEKAACRFAEEHGISLVTVCPVLTVGAAPAPKV
RTSIVDSLSMLSGDEAGLAVLRGIETTSGALQLVHIDDLCRAELFLAEEA
AAGGRYICCSLNTTVVELARFLAHKYPQYRVKTNFDDDEHLLERPRVIMS
SEKLVREGFEYRHNTLDEIYDNVVEYGKALGILPY
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 chain8fio Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8fio Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		L95 W96 S133 Y138 V199 L200 T212 S213 D216
Binding residue
(residue number reindexed from 1)		L85 W86 S123 Y128 V189 L190 T202 S203 D206
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:8fio, PDBe:8fio, PDBj:8fio
PDBsum8fio
PubMed37762209
UniProtA0A1B6PND3

[Back to BioLiP]