Structure of PDB 2of1 Chain A Binding Site BS01

Receptor Information
>2of1 Chain A (length=136) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATSTKKLHKEPATLIKAIDGDTVKLMYKGQPMTFRLLLVDTPEFNEKYGP
EASAFTKAMVENAKKIEVEFDKGQRTDKYGRGLAYWYADGAMVNEALVRQ
GLAAVAYVYKGNNTHEQLLRAAEAQAKKEKLNIWSE
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 chain2of1 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2of1 On the presence of water molecules in the protein hydrophobic core
Resolution1.92 Å
Binding residue
(original residue number in PDB)
D21 R35 D40 T41
Binding residue
(residue number reindexed from 1)
D21 R35 D40 T41
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D21 R35 D40 T41 E43 R87
Catalytic site (residue number reindexed from 1) D21 R35 D40 T41 E43 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:2of1, PDBe:2of1, PDBj:2of1
PDBsum2of1
PubMed
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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