Structure of PDB 7bur Chain A Binding Site BS01

Receptor Information
>7bur Chain A (length=388) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVSVEEIRKAQRAEGPATVMAIGTATPPNCVDQSTYPDYYFRITNSEHMT
ELKEKFKRMCDKSMIKKRYMYLNEEILKENPSVCAYMAPSLDARQDMVVV
EVPKLGKEAATKAIKEWGQPKSKITHLIFCTTSGVDMPGADYQLTKLLGL
RPSVKRYMMYQQGCFAGGTVLRLAKDLAENNKGARVLVVCSEITAVTFRG
PTDTHLDSLVGQALFGDGAAAVIVGSDPLPVEKPLFQLVWTAQTILPDSE
GAIDGHLREVGLTFHLLKDVPGLISKNIEKALVEAFQPLGISDYNSIFWI
AHPGGPAILDQVEAKLGLKPEKMEATRHVLSEYGNMSSACVLFILDQMRK
KSIENGLGTTGEGLDWGVLFGFGPGLTVETVVLRSVTL
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 chain7bur 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

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PDB7bur Crystal structure of chalcone synthase, a key enzyme for isoflavonoid biosynthesis in soybean.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		S133 A164 E192 I193 T194 T197 F215 G216 I253 L262 F264 S337 P374
Binding residue
(residue number reindexed from 1)		S133 A164 E192 I193 T194 T197 F215 G216 I253 L262 F264 S337 P374
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.74: chalcone synthase.
Gene Ontology
Molecular Function
GO:0016210 naringenin-chalcone synthase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0009058 biosynthetic process
GO:0009813 flavonoid biosynthetic process
GO:0030639 polyketide biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7bur, PDBe:7bur, PDBj:7bur
PDBsum7bur
PubMed32725893
UniProtP24826|CHS1_SOYBN Chalcone synthase 1 (Gene Name=CHS1)

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