Structure of PDB 7vb8 Chain A Binding Site BS01

Receptor Information
>7vb8 Chain A (length=363) Species: 4558 (Sorghum bicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SARNEEDESCMFALKLLGGFAVPFTIKAVIELGVMDQLLTAERAMSAEEL
VAAAVAAQLPRPEVACTMVDRLLRFLASHSVVRCTTEVVVGTDDATTTTC
CRRSYAASPVCKWFARNGVEDSVLPLGMMILNKTFLDSWQNITDAVLEGA
APFEKTYGMPMFEYLSTNGPLNTVFHEAMANHSMIITKKLLKFFRGFEGL
DVLVDVGGGNGTTLQMIRGQYKNMRGINYDLPHVIAQAAPVEGVEHVGGS
MFDNIPRGNAVLLKWILHDWDDKACIKILKNCYTALHVRGKVIVLEYVVP
DEPEPTLAAQGAFELDLTMLVTFGSGKERTQREFSELAMEAGFSREFKAT
YIFANVWALEFTK
Ligand information
Ligand IDSTL
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKeyLUKBXSAWLPMMSZ-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=Cc2cc(cc(c2)O)O)O
CACTVS 3.341Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2
ACDLabs 10.04Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2
CACTVS 3.341Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
FormulaC14 H12 O3
NameRESVERATROL
ChEMBLCHEMBL165
DrugBankDB02709
ZINCZINC000000006787
PDB chain7vb8 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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PDB7vb8 Regioselective stilbene O-methylations in Saccharinae grasses.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		M143 I144 F189 M193 W279 H282 L329 M333
Binding residue
(residue number reindexed from 1)		M129 I130 F175 M179 W265 H268 L315 M319
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0046983 protein dimerization activity
Biological Process
GO:0009058 biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7vb8, PDBe:7vb8, PDBj:7vb8
PDBsum7vb8
PubMed37308495
UniProtA0A1B6PFV1

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