Structure of PDB 2w0s Chain A Binding Site BS01

Receptor Information

>2w0s Chain A (length=203) Species: 10249 (Vaccinia virus Copenhagen)

SRGALIVFEGLDKSGKTTQCMNIMESIPANTIKYLNFPQRSTVTGKMIDD
YLTRKKTYNDHIVNLLFCANRWEFASFIQEQLEQGITLIVDRYAFSGVAY
AAAKGASMTLSKSYESGLPKPDLVIFLESGSKEINRNVGEEIYEDVTFQQ
KVLQEYKKMIEEGDIHWQIISSEFEEDVKKELIKNIVIEAIHTVTGPVGQ
LWM

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: 2w0s Chain A Residue 1205

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2w0s Crystal Structure of Poxvirus Thymidylate Kinase: An Unexpected Dimerization Has Implications for Antiviral Therapy
• Resolution: 2.918 Å
• Binding residue (original residue number in PDB): N37 D92
• Binding residue (residue number reindexed from 1): N36 D91
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.4.9: dTMP kinase.

Gene Ontology

Molecular Function

• GO:0004550 nucleoside diphosphate kinase activity
• GO:0004798 thymidylate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity

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:0046940 nucleoside monophosphate phosphorylation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2w0s, PDBe:2w0s, PDBj:2w0s
• PDBsum: 2w0s
• PubMed: 18971333
• UniProt: P68693|KTHY_VACCC Thymidylate kinase (Gene Name=OPG178)