Structure of PDB 1esn Chain A Binding Site BS01

Receptor Information

>1esn Chain A (length=311) Species: 562 (Escherichia coli)

QTLMTPYLQFDRNQWAALRDSVPMTLSEDEIARLKGINEDLSLEEVAEIY
LPLSRLLNFYISSNLRRQAVLEQFLGTNGQRIPYIISIAGSVAVGKSTTA
RVLQALLSRWPEHRRVELITTDGFLHPNQVLKERGLMKKKGFPESYDMHR
LVKFVSDLKSGVPNVTAPVYSHLIYDVIPDGDKTVVQPDILILEGLNVLQ
SGMDYPHDPHHVFVSDFVDFSIYVDAPEDLLQTWYINRFLKFREGAFTDP
DSYFHNYAKLTKEEAIKTAMTLWKEINWLNLKQNILPTRERASLILTKSA
NHAVEEVRLRK

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: 1esn Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1esn Structural basis for the feedback regulation of Escherichia coli pantothenate kinase by coenzyme A.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): S102 E199
• Binding residue (residue number reindexed from 1): S97 E194
• 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
• GO:0042803 protein homodimerization activity
• GO:0050165 pantetheine kinase activity

Biological Process

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

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1esn, PDBe:1esn, PDBj:1esn
• PDBsum: 1esn
• PubMed: 10862768
• UniProt: P0A6I3|COAA_ECOLI Pantothenate kinase (Gene Name=coaA)