Structure of PDB 6wjj Chain D Binding Site BS02

Receptor Information
>6wjj Chain D (length=523) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSP
EKWSTASDPYSDFEKVTGRIDGNVSPEANHPLVAAYPIVHVDMENIILSK
NETRTISKNTSTSRTHTSNSNSSTVAIDHSLSTWAETMGLNTADTARLNA
NIRYVNTGTAPIYNVLPTTSLVLGKNQTLATIKAKENQLSQILAPNNYYP
SKNLAPIALNAQDDFSSTPITMNYNQFLELEKTKQLRLDTDQVYGNIATY
NFENGRVRVDTGSNWSEVLPQIQETTARIIFNGKDLNLVERRIAAVNPSD
PLETTKPDMTLKEALKIAFGFNEPNGNLQYQGKDITEFDFNFDQQTSQNI
KNQLAELNATNIYTVLDKIKLNAKMNILIRDKRFHYDRNNIAVGADESVV
KEAHREVINSSTEGLLLNIDKDIRKILSGYIVEIEDTEGLKEVINDRYDM
LNISSLRQDGKTFIDFKKYNDKLPLYISNPNYKVNVYAVTKENTIINPSE
NGDTSTNGIKKILIFSKKGYEIG
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 chain6wjj Chain D Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6wjj Atomic Structures of Anthrax Prechannel Bound with Full-Length Lethal and Edema Factors.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		D179 D181 E188 S222 D235
Binding residue
(residue number reindexed from 1)		D6 D8 E15 S49 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:6wjj, PDBe:6wjj, PDBj:6wjj
PDBsum6wjj
PubMed32521227
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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