Structure of PDB 8ssk Chain D Binding Site BS01

Receptor Information
>8ssk Chain D (length=306) Species: 67825 (Citrobacter rodentium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLGTENLYFQSLAGDKARESVKESAEWWKKQIRDKLGENTASQLANGLVN
LASETGDLAMLGGDTAFDVVAALAACATGDSYCSQAKSDIAKKDAAAANV
LNGIMNGDAWEGIKSTAVKAANGDQKALENVAGIISGAFIPAKLLPSGST
AKVIVKPVEPKGGAGGNWNVLDEIVDPNVVKQSTPTGAGGACGEMMLKDR
NIFVDQTQIGTGLKSPEQLARDLAKNSGSSWSGGFVGFEAYDALNKTGSW
SAMMWDQGSKIGHWVVVKGTDSKGNVSIYDPWKGTSYKMTDKEFKGTWNG
NAVFNQ
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 chain8ssk Chain D Residue 1508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ssk Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H258 W259
Binding residue
(residue number reindexed from 1)		H263 W264
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008233 peptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ssk, PDBe:8ssk, PDBj:8ssk
PDBsum8ssk
PubMed
UniProtA0A482PFX0

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