Structure of PDB 6psn Chain C Binding Site BS02

Receptor Information
>6psn Chain C (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 C Residue 802 [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 S222 K225 D235
Binding residue
(residue number reindexed from 1)		D6 D8 S49 K52 D62
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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