Structure of PDB 8w44 Chain A Binding Site BS01

Receptor Information
>8w44 Chain A (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 IDEZE
InChIInChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
InChIKeyPDHAOJSHSJQANO-OWOJBTEDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
OpenEye OEToolkits 2.0.6c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O
CACTVS 3.385Oc1ccc(C=Cc2cc(O)cc(O)c2)c(O)c1
OpenEye OEToolkits 2.0.6c1cc(c(cc1O)O)C=Cc2cc(cc(c2)O)O
FormulaC14 H12 O4
Nametrans-oxyresveratrol
ChEMBLCHEMBL43065
DrugBank
ZINCZINC000000899161
PDB chain8w44 Chain A Residue 201 [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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PDB8w44 Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
Resolution1.399 Å
Binding residue
(original residue number in PDB)		K15 A108 L110 S117
Binding residue
(residue number reindexed from 1)		K6 A99 L101 S108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8w44, PDBe:8w44, PDBj:8w44
PDBsum8w44
PubMed37910439
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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