Structure of PDB 4g2s Chain B Binding Site BS01

Receptor Information
>4g2s Chain B (length=106) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PYIVRLLNSSLNGCEFPLLTGRTLFVVGQSDALTASGQLPDIPADSFFIP
LDHGGVNFEIQVDTDATEIILHELKEGNSESRSVQLNTPIQVGELLILIR
PESEPW
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 chain4g2s Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4g2s A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Resolution1.858 Å
Binding residue
(original residue number in PDB)		D76 D78 T80
Binding residue
(residue number reindexed from 1)		D63 D65 T67
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4g2s, PDBe:4g2s, PDBj:4g2s
PDBsum4g2s
PubMed23633951
UniProtP41783|PRGH_SALTY Protein PrgH (Gene Name=prgH)

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