Structure of PDB 4pwh Chain A Binding Site BS02

Receptor Information
>4pwh 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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4pwh Chain A 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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PDB4pwh Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin
Resolution1.798 Å
Binding residue
(original residue number in PDB)		C10 H56
Binding residue
(residue number reindexed from 1)		C1 H47
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4pwh, PDBe:4pwh, PDBj:4pwh
PDBsum4pwh
PubMed25314129
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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