Structure of PDB 3j9c Chain A Binding Site BS01

Receptor Information
>3j9c Chain A (length=423) 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
IYTVLDKIKLNAKMNILIRDKRF
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 chain3j9c 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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PDB3j9c Atomic structure of anthrax protective antigen pore elucidates toxin translocation.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D177 D179 D181 I183 E188
Binding residue
(residue number reindexed from 1)		D4 D6 D8 I10 E15
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:3j9c, PDBe:3j9c, PDBj:3j9c
PDBsum3j9c
PubMed25778700
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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