Structure of PDB 8w45 Chain B Binding Site BS01

Receptor Information
>8w45 Chain B (length=116) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAMHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTNP
Ligand information
Ligand ID8KZ
InChIInChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+
InChIKeyKUWZXOMQXYWKBS-NSCUHMNNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(cc(c1)O)/C=C/c2ccc(cc2)O
CACTVS 3.385COc1cc(O)cc(C=Cc2ccc(O)cc2)c1
OpenEye OEToolkits 2.0.7COc1cc(cc(c1)O)C=Cc2ccc(cc2)O
CACTVS 3.385COc1cc(O)cc(/C=C/c2ccc(O)cc2)c1
FormulaC15 H14 O3
Name3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol;
Pinostilbene
ChEMBLCHEMBL498917
DrugBank
ZINCZINC000006483567
PDB chain8w45 Chain B Residue 202 [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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PDB8w45 Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		K15 L17 L110 S117
Binding residue
(residue number reindexed from 1)		K6 L8 L101 S108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8w45, PDBe:8w45, PDBj:8w45
PDBsum8w45
PubMed37910439
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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