Structure of PDB 4wrd Chain A Binding Site BS01

Receptor Information
>4wrd Chain A (length=129) Species: 93062 (Staphylococcus aureus subsp. aureus COL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHKEPATLIKAIDGDTVKLMYKGQPMTFRLLLVDTPEFNEKYGPEASAFT
KKMEENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQGLAKVA
YVYKGNNTHEQLERKAEAQAKKEKLNIWS
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 chain4wrd Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wrd Crystal structure of Staphylcoccal nulease variant Delta+PHS V66E L125E at cryogenic temperature
Resolution1.65 Å
Binding residue
(original residue number in PDB)		D21 D40 T41 E43
Binding residue
(residue number reindexed from 1)		D15 D34 T35 E37
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 R75
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:4wrd, PDBe:4wrd, PDBj:4wrd
PDBsum4wrd
PubMed
UniProtQ5HHM4|NUC_STAAC Thermonuclease (Gene Name=nuc)

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