Structure of PDB 9c11 Chain B Binding Site BS02

Receptor Information
>9c11 Chain B (length=139) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKLHKEPATLIKAIDGDTVKLMYKGQPMTFRRLLVDTPEFNEKYGPEASA
FTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQGLAK
VAYVYKGNNTHEQLLRKAEAQAKKEKLNIWSEDNADSGQ
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 chain9c11 Chain B 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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PDB9c11 Domain-swapping promoted by the introduction of a charge in the hydrophobic interior of a protein
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D21 D40 T41 E43
Binding residue
(residue number reindexed from 1)		D17 D36 T37 E39
Annotation score4
External links
PDB RCSB:9c11, PDBe:9c11, PDBj:9c11
PDBsum9c11
PubMed
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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