Structure of PDB 4qf4 Chain A Binding Site BS02

Receptor Information
>4qf4 Chain A (length=132) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHKEPATLIKAIDGDTMKLMYKGQPMTFRLLLVDTPETKHPVEKYGPEAS
AFTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQGLA
KVAYVYKPNNTHEQHLRKSEAQAKKEKLNIWS
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 chain4qf4 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qf4 Pressure effects in proteins
Resolution1.8 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 R78
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:4qf4, PDBe:4qf4, PDBj:4qf4
PDBsum4qf4
PubMed
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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