Structure of PDB 4nb4 Chain F Binding Site BS04

Receptor Information

>4nb4 Chain F (length=262) Species: 282458 (Staphylococcus aureus subsp. aureus MRSA252)

MKVGIDAGGTLIKIVQEQDNQRTFKTELTKNIDQVVEWLNQQQLCLTGGN
AGVIAENINIPAQIFVEFDAASQGLGILLKEQGHDLADYIFANVGTGTSL
HYFDGQSQRRVGGIGTGGGMIQGLGYLLSQITDYKQLTDMAQHGDRNTID
LKVRHIYKDTEPPIPGDLTAANFGHVLHHLDADFTPSNKLAAVIGVVGEV
VTTMAITVAREFKTENIVYIGSSFHNNALLRKVVEDYTVLRGCKPYYVEN
GAFSGAIGALYL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4nb4 Chain F Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4nb4 Structural characterization of a new N-substituted pantothenamide bound to pantothenate kinases from Klebsiella pneumoniae and Staphylococcus aureus.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): D6 E70
• Binding residue (residue number reindexed from 1): D6 E67
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.33: pantothenate kinase.

Gene Ontology

Molecular Function

• GO:0004594 pantothenate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity

Biological Process

• GO:0015937 coenzyme A biosynthetic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4nb4, PDBe:4nb4, PDBj:4nb4
• PDBsum: 4nb4
• PubMed: 24470271
• UniProt: Q6G7I0|COAW_STAAS Type II pantothenate kinase (Gene Name=coaW)