Structure of PDB 8v8p Chain A Binding Site BS01

Receptor Information
>8v8p Chain A (length=211) Species: 4558 (Sorghum bicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPEVVVEGVVFPPVARPPGSAGSHFLGGAGVRGIEIGGNFIKFTAIGVYL
EDAAVSALAKKWAGKTADELASDAAFFRDVVTGDFEKFTRVTMLLPLTGE
QYAGKVTENCVAFWKAVGLYTDAEGVAVEKFKEAFKPETFPPGASILFTH
SSTGVLTVAFSKDSSVPASGGVAIENKHLCEAVLESIIGEHGVSPAAKLS
LAARVSELLTK
Ligand information
Ligand IDDFV
InChIInChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
InChIKeyFURUXTVZLHCCNA-AWEZNQCLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C2CC(=O)c3ccc(cc3O2)O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O
CACTVS 3.341Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2
CACTVS 3.341Oc1ccc(cc1)[CH]2CC(=O)c3ccc(O)cc3O2
ACDLabs 10.04O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3
FormulaC15 H12 O4
Name7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE;
5-DEOXYFLAVANONE
ChEMBLCHEMBL252642
DrugBankDB03601
ZINCZINC000000985403
PDB chain8v8p Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8v8p Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein
Resolution3.18 Å
Binding residue
(original residue number in PDB)		R34 I36 L99 K107
Binding residue
(residue number reindexed from 1)		R32 I34 L97 K105
Annotation score4
Enzymatic activity
Enzyme Commision number 5.5.1.6: chalcone isomerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0045430 chalcone isomerase activity
Biological Process
GO:0009813 flavonoid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8v8p, PDBe:8v8p, PDBj:8v8p
PDBsum8v8p
PubMed38891840
UniProtC5WV22

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