Structure of PDB 3tew Chain A Binding Site BS04

Receptor Information
>3tew Chain A (length=701) 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
DMENIILSKNEDQSTQNTDSQTRTISKNTSTSRTHTSEPGSNSNSSTVAI
DHSLSLAGERTWAETMGLNTADTARLNANIRYVNTGTAPIYNVLPTTSLV
LGKNQTLATIKAKENQLSQILAPNNYYPSKNLAPIALNAQDDFSSTPITM
NYNQFLELEKTKQLRLDTDQVYGNIATYNFENGRVRVDTGSNWSEVLPQI
QETTARIIFNGKDLNLVERRIAAVNPSDPLETTKPDMTLKEALKIAFGFN
EPNGNLQYQGKDITEFDFNFDQQTSQNIKNQLAELNATNIYTVLDKIKLN
AKMNILIRDKRFHYDRNNIAVGADESVVKEAHREVINSSTEGLLLNIDKD
IRKILSGYIVEIEDTEGLKEVINDRYDMLNISSLRQDGKTFIDFKKYNDK
LPLYISNPNYKVNVYAVTKENTIINPSENGDTSTNGIKKILIFSKKGYEI
G
Ligand information
Ligand IDMXE
InChIInChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKeyXNWFRZJHXBZDAG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCO
ACDLabs 10.04OCCOC
FormulaC3 H8 O2
Name2-METHOXYETHANOL
ChEMBLCHEMBL444144
DrugBankDB02806
ZINCZINC000001591817
PDB chain3tew Chain A Residue 737 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tew Domain flexibility modulates the heterogeneous assembly mechanism of anthrax toxin protective antigen.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		S382 D451
Binding residue
(residue number reindexed from 1)		S348 D417
Annotation score1
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3tew, PDBe:3tew, PDBj:3tew
PDBsum3tew
PubMed22063095
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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