Structure of PDB 9cil Chain A Binding Site BS02

Receptor Information
>9cil Chain A (length=129) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHKEPATLIKAIDGDTVKLMYKGQPMTFRLLLVDVPEFNEKYGPEAAAFT
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 chain9cil 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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PDB9cil Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D21 V41
Binding residue
(residue number reindexed from 1)		D15 V35
Annotation score4
External links
PDB RCSB:9cil, PDBe:9cil, PDBj:9cil
PDBsum9cil
PubMed
UniProtQ5HHM4|NUC_STAAC Thermonuclease (Gene Name=nuc)

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