Structure of PDB 5ezp Chain A Binding Site BS01

Receptor Information
>5ezp Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTT
EEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAAL
LSPYSYSTTAVVTNP
Ligand information
Ligand IDIPJ
InChIInChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+
InChIKeyPWWCDTYUYPOAIU-DHZHZOJOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O
OpenEye OEToolkits 2.0.4c1ccc(cc1)C(=O)C=Cc2ccc(cc2)O
CACTVS 3.385Oc1ccc(cc1)\C=C\C(=O)c2ccccc2
CACTVS 3.385Oc1ccc(cc1)C=CC(=O)c2ccccc2
FormulaC15 H12 O2
Name4-hydroxy-chalcone
ChEMBLCHEMBL7747
DrugBank
ZINCZINC000004090723
PDB chain5ezp Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ezp A new crystal form of human transthyretin obtained with a curcumin derived ligand.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K15 L17 S117 T119
Binding residue
(residue number reindexed from 1)		K5 L7 S107 T109
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005179 hormone activity
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0070324 thyroid hormone binding
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0007165 signal transduction
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0035578 azurophil granule lumen
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ezp, PDBe:5ezp, PDBj:5ezp
PDBsum5ezp
PubMed26796656
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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