Structure of PDB 3tez Chain A Binding Site BS01

Receptor Information
>3tez Chain A (length=700) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSQGLLGYYFSDLNFQAPMVVTSSTTGDLSIPSSELENIPSENQYFQSAI
WSGFIKVKKSDEYTFATSADNHVTMWVDDQEVINKASNSNKIRLEKGRLY
QIKIQYQRENPTEKGLDFKLYWTDSQNKKEVISSDNLQLPELKQKSSNSR
KKRSTSAGPTVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKK
GLTKYKSSPEKWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHV
DMENIILSKNEDQSTQNTDSQTRTISKNTSTSRTHTAGFSNSNSSTVAID
HCLSLAGERTWAETMGLNTADTARLNANIRYVNTGTAPIYNVLPTTSLVL
GKNQTLATIKAKENQLSQILAPNNYYPSKNLAPIALNAQDDFSSTPITMN
YNQFLELEKTKQLRLDTDQVYGNIATYNFENGRVRVDTGSNWSEVLPQIQ
ETTARIIFNGKDLNLVERRIAAVNPSDPLETTKPDMTLKEALKIAFGFNE
PNGNLQYQGKDITEFDFNFDQQTSQNIKNQLAELNATNIYTVLDKIKLNA
KMNILIRDKRFHYDRNNIAVGADESVVKEAHREVINSSTEGLLLNIDKDI
RKILSGYIVEIEDTEGLKEVINDRYDMLCISSLRQDGKTFIDFKKYNDKL
PLYISNPNYKVNVYAVTKENTIINPSENGDTSTNGIKKILIFSKKGYEIG
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 chain3tez Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tez Domain flexibility modulates the heterogeneous assembly mechanism of anthrax toxin protective antigen.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		D177 D179 D181 I183 E188
Binding residue
(residue number reindexed from 1)		D163 D165 D167 I169 E174
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:3tez, PDBe:3tez, PDBj:3tez
PDBsum3tez
PubMed22063095
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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