Structure of PDB 3shl Chain A Binding Site BS02

Receptor Information
>3shl 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]
LHKEPATLIKAIDGDTVKAMYKGQPMTFRLLLVDTPEFNEKYGPEASAFT
KKMVENAKKIEKEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQGLAKVA
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 chain3shl Chain A Residue 151 [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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PDB3shl Redirection of internal ionizable residues by engineered cavities
Resolution1.48 Å
Binding residue
(original residue number in PDB)		D21 D40 T41
Binding residue
(residue number reindexed from 1)		D15 D34 T35
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D21 R35 D40 T41 E43 R87
Catalytic site (residue number reindexed from 1) D15 R29 D34 T35 E37 R75
Enzyme Commision number 3.1.31.1: micrococcal nuclease.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004518 nuclease activity

View graph for
Molecular Function
External links
PDB RCSB:3shl, PDBe:3shl, PDBj:3shl
PDBsum3shl
PubMed
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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