Structure of PDB 1ena Chain A Binding Site BS01

Receptor Information
>1ena Chain A (length=135) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHKEPATLIKAIDGETVKLMYKGQPMTFRLLLVDTPETKHPKKGVEKYGP
EASAFTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQ
GLAKVAYVYKPNNTHEQHLRKSEAQAKKEKLNIWS
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 chain1ena Chain A Residue 142 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ena Crystal structures of the binary Ca2+ and pdTp complexes and the ternary complex of the Asp21-->Glu mutant of staphylococcal nuclease. Implications for catalysis and ligand binding.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		E21 D40 T41 E43
Binding residue
(residue number reindexed from 1)		E15 D34 T35 E37
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E21 R35 D40 T41 E43 R87
Catalytic site (residue number reindexed from 1) E15 R29 D34 T35 E37 R81
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:1ena, PDBe:1ena, PDBj:1ena
PDBsum1ena
PubMed8025105
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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