Structure of PDB 6psn Chain A Binding Site BS01

Receptor Information
>6psn Chain A (length=562) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSP
EKWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVDMENIILSK
NEDQSTQNTDSQTRTISKNTSTSRTHTSEVHGNAEVHASFFDIGGSVSAG
FSNSNSSTVAIDHSLSLAGERTWAETMGLNTADTARLNANIRYVNTGTAP
IYNVLPTTSLVLGKNQTLATIKAKENQLSQILAPNNYYPSKNLAPIALNA
QDDFSSTPITMNYNQFLELEKTKQLRLDTDQVYGNIATYNFENGRVRVDT
GSNWSEVLPQIQETTARIIFNGKDLNLVERRIAAVNPSDPLETTKPDMTL
KEALKIAFGFNEPNGNLQYQGKDITEFDFNFDQQTSQNIKNQLAELNATN
IYTVLDKIKLNAKMNILIRDKRFHYDRNNIAVGADESVVKEAHREVINSS
TEGLLLNIDKDIRKILSGYIVEIEDTEGLKEVINDRYDMLNISSLRQDGK
TFIDFKKYNDKLPLYISNPNYKVNVYAVTKENTIINPSENGDTSTNGIKK
ILIFSKKGYEIG
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 chain6psn Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6psn Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors.
Resolution4.6 Å
Binding residue
(original residue number in PDB)		D179 D181 I183 P184
Binding residue
(residue number reindexed from 1)		D6 D8 I10 P11
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0051260 protein homooligomerization
Cellular Component
GO:0005576 extracellular region

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Biological Process
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Cellular Component
External links
PDB RCSB:6psn, PDBe:6psn, PDBj:6psn
PDBsum6psn
PubMed32047164
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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