Structure of PDB 1gsi Chain A Binding Site BS01

Receptor Information

>1gsi Chain A (length=208) Species: 1773 (Mycobacterium tuberculosis)

MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAE
ALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASN
AAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERS
RGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDP
GRLAATLA

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: 1gsi Chain A Residue 1209

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gsi Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): D9 E166
• Binding residue (residue number reindexed from 1): D9 E166
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.4.9: dTMP kinase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004798 thymidylate kinase activity
• GO:0005524 ATP binding
• GO:0005525 GTP binding
• GO:0016301 kinase activity
• GO:0042803 protein homodimerization activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006227 dUDP biosynthetic process
• GO:0006233 dTDP biosynthetic process
• GO:0006235 dTTP biosynthetic process
• GO:0009165 nucleotide biosynthetic process
• GO:0016310 phosphorylation
• GO:0046044 TMP metabolic process
• GO:0046940 nucleoside monophosphate phosphorylation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1gsi, PDBe:1gsi, PDBj:1gsi
• PDBsum: 1gsi
• PubMed: 11914484
• UniProt: P9WKE1|KTHY_MYCTU Thymidylate kinase (Gene Name=tmk)