Structure of PDB 5whv Chain F Binding Site BS01

Receptor Information
>5whv Chain F (length=119) Species: 85569 (Salmonella enterica subsp. enterica serovar Typhimurium str. DT104) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMADYNTYQSNVQINNLSYGVYRSGDKESQFFCVGLKRGSQVPNVHTICK
IDVFGTHKQGFDNMLATARYYYATGEDVRIYYKENVWTDRNFTAAFSGNE
LIAITTCTSSDYCMGPTLP
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 chain5whv Chain E Residue 207 [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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PDB5whv Evolution of host adaptation in the Salmonella typhoid toxin.
Resolution2.303 Å
Binding residue
(original residue number in PDB)		R59 P64
Binding residue
(residue number reindexed from 1)		R38 P43
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links