Structure of PDB 7o85 Chain D Binding Site BS01

Receptor Information
>7o85 Chain D (length=332) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSP
EKWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVSTSRTHTSE
VHGNAEVHASFFDIGGSVSAGFSNSNSSTVARYVNTGTAPIYNVLPTTLS
QILAPNNYYPSKNLALRLDTDQVYGNIATYNFENGRVRVDTGSNWSEVLP
QIQETTARIIFNGKDLNLVERRIAAVNPSDPLETTKPDMTLKEALKIAFG
FNEPNGNLQYQGKDITEFDFNFDQQTSQNIKNQLAELNATNIYTVLDKIK
LNAKMNILIRDKRFHYDRNNIAVGADESVVKE
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 chain7o85 Chain D Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7o85 Neutralization of the anthrax toxin by antibody-mediated stapling of its membrane-penetrating loop.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		D179 D181 E188 S222 K225 D235
Binding residue
(residue number reindexed from 1)		D6 D8 E15 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:7o85, PDBe:7o85, PDBj:7o85
PDBsum7o85
PubMed34473089
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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