Structure of PDB 2oi2 Chain A Binding Site BS01

Receptor Information

>2oi2 Chain A (length=285) Species: 1313 (Streptococcus pneumoniae)

KVGVGQAHSKIILIGEHAVVYGYPAISLPLLEVEVTCKVVPAESPWRLYE
EDTLSMAVYASLEYLNITEACIRCEIDEKRGMGSSAAISIAAIRAVFDYY
QADLPHDVLEILVNRAEMIAHMNPSGLDAKTCLSDQPIRFIKNVGFTELE
MDLSAYLVIADTGVYGHTREAIQVVQNKGKDALPFLHALGELTQQAEIAI
SQKDAEGLGQILSQAHLHLKEIGVSSLEADSLVETALSHGALGAKMSGGG
LGGCIIALVTNLTHAQELAERLEEKGAVQTWIESL

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: 2oi2 Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2oi2 Crystal structure of the Streptococcus pneumoniae mevalonate kinase in complex with diphosphomevalonate.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): S92 D135
• Binding residue (residue number reindexed from 1): S85 D128
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.36: mevalonate kinase.

Gene Ontology

Molecular Function

• GO:0004496 mevalonate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006629 lipid metabolic process
• GO:0008299 isoprenoid biosynthetic process
• GO:0016310 phosphorylation
• GO:0019287 isopentenyl diphosphate biosynthetic process, mevalonate pathway

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2oi2, PDBe:2oi2, PDBj:2oi2
• PDBsum: 2oi2
• PubMed: 17400916
• UniProt: A0A0H2UNK6