Structure of PDB 4iun Chain A Binding Site BS01

Receptor Information
>4iun 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
EASAFTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQ
GLAKVAYVYKGNNTHEQLLEKAEAQAKKEKLNIWSE
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 chain4iun Chain A Residue 201 [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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PDB4iun Crystal structure of Staphylococcal nuclease variant Delta+PHS R126E at cryogenic temperature
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D21 D40 T41
Binding residue
(residue number reindexed from 1)		D21 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:4iun, PDBe:4iun, PDBj:4iun
PDBsum4iun
PubMed
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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