Structure of PDB 8ii2 Chain B Binding Site BS01

Receptor Information
>8ii2 Chain B (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAMHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
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 chain8ii2 Chain B Residue 200 [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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PDB8ii2 Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Resolution1.798 Å
Binding residue
(original residue number in PDB)		F64 D99
Binding residue
(residue number reindexed from 1)		F55 D90
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ii2, PDBe:8ii2, PDBj:8ii2
PDBsum8ii2
PubMed37311373
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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