Structure of PDB 9cij Chain A Binding Site BS02

Receptor Information
>9cij Chain A (length=129) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHKEPATLIKAIDGDTEKLMYKGQPMTFRRLLVDTPEFNEKYGPEASAFT
KKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQGLAKVA
YVYKGNNTHEQLLRKAEAQAKKEKLNIWS
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 chain9cij Chain A Residue 202 [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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PDB9cij Crystal structure of Staphylococcal nuclease variant Delta+PHS V23E/L36R at cryogenic temperature
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D21 D40 T41 E43
Binding residue
(residue number reindexed from 1)		D15 D34 T35 E37
Annotation score4
External links
PDB RCSB:9cij, PDBe:9cij, PDBj:9cij
PDBsum9cij
PubMed
UniProtQ5HHM4|NUC_STAAC Thermonuclease (Gene Name=nuc)

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