Structure of PDB 4nam Chain A Binding Site BS02

Receptor Information
>4nam Chain A (length=682) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQGLLGYYFSDLNFQAPMVVTSSTTGDLSIPSSELENIPSENQYFQSAIW
SGFIKVKKSDEYTFATSADNHVTMWVDDQEVINNKIRLEKGRLYQIKIQY
QRENPTEKGLDFKLYWTDSQNKKEVISSDNLQLPELKQKSSNSRKKRSTS
AGPTVPDRDNDGIPDSLEVEGYTVDVTFLSPYISNIHLTKYKSSPEKWST
ASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVDMENIILSKNEDQS
TQNTDSQTRTISKNTSTSRTHTSNSNSSTVAIDHSLSLAGERTWAETMGL
NTADTARLNANIRYVNTGTAPIYNVLPTTSLVLGKNQTLATIKAKENQLS
QILAPNNYYPSKNLAPIALNAQDDFSSTPITMNYNQFLELEKTKQLRLDT
DQVYGNIATYNFENGRVRVDTGSNWSEVLPQIQETTARIIFNGKDLNLVE
RRIAAVNPSDPLETTKPDMTLKEALKIAFGFNEPNGNLQYQGKDITEFDF
NFDQQTSQNIKNQLAELNATNIYTVLDKIKLNAKMNILIRDKRFHYDRNN
IAVGADESVVKEAHREVINSSTEGLLLNIDKDIRKILSGYIVEIEDTEGL
KEVINDRYDMLNISSLRQDGKTFIDFKKYNDKLPLYISNPNYKVNVYAVT
KENTIINPSENGDTSTNGIKKILIFSKKGYEI
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 chain4nam Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nam (19)F nuclear magnetic resonance and crystallographic studies of 5-fluorotryptophan-labeled anthrax protective antigen and effects of the receptor on stability.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D177 D179 D181 I183 E188
Binding residue
(residue number reindexed from 1)		D157 D159 D161 I163 E168
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0043409 negative regulation of MAPK cascade
GO:0044533 positive regulation of apoptotic process in another organism
GO:0051260 protein homooligomerization
Cellular Component
GO:0005576 extracellular region
GO:0016020 membrane
GO:0020002 host cell plasma membrane
GO:0044164 host cell cytosol
GO:0044174 host cell endosome
GO:0044175 host cell endosome membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nam, PDBe:4nam, PDBj:4nam
PDBsum4nam
PubMed24387629
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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