Structure of PDB 3c1e Chain A Binding Site BS01

Receptor Information
>3c1e Chain A (length=131) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLHKEPATLIKAIDGDTVKLMYKGQPMTFRLLLVDTPEFNEKYGPEASAF
TKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQGLAKV
AYVYKGNNTHEQLKRKAEAQAKKEKLNIWSE
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 chain3c1e 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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PDB3c1e Crystal structure of Staphylococcal nuclease variant Delta+PHS L125K at cryogenic temperature
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D21 D40 T41 E43
Binding residue
(residue number reindexed from 1)		D16 D35 T36 E38
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D21 R35 D40 T41 E43 R87
Catalytic site (residue number reindexed from 1) D16 R30 D35 T36 E38 R76
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:3c1e, PDBe:3c1e, PDBj:3c1e
PDBsum3c1e
PubMed
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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