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BioLiP

Structure of PDB 1a3u Chain A Binding Site BS01

Receptor Information
>1a3u 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]
LHKEPATLIKAIDGDTCKLMYKGQPMTFRLLLVDTPETKHPKKGVEKYGP
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 chain1a3u Chain A Residue 150 [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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PDB1a3u Comparison of straight chain and cyclic unnatural amino acids embedded in the core of staphylococcal nuclease.
Resolution2.05 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 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:1a3u, PDBe:1a3u, PDBj:1a3u
PDBsum1a3u
PubMed9260275
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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