Structure of PDB 1stb Chain A Binding Site BS01

Receptor Information
>1stb Chain A (length=137) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLHKEPATLIKAIDGDTVKLMYKGQPMTFRLLLLVDTPETKHPKKGVEKY
GPEASAFTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALV
RQGLAKVAYVYKPNNTHEQHLRKSEAQAKKEKLNIWS
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 chain1stb Chain A Residue 150 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1stb Accommodation of insertion mutations on the surface and in the interior of staphylococcal nuclease.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D19 D21 D40 P42
Binding residue
(residue number reindexed from 1)		D14 D16 D36 P38
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D21 R35 D40 T41 E43 R87
Catalytic site (residue number reindexed from 1) D16 R30 D36 T37 E39 R83
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:1stb, PDBe:1stb, PDBj:1stb
PDBsum1stb
PubMed8019410
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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