Structure of PDB 2qqe Chain A Binding Site BS01

Receptor Information

>2qqe Chain A (length=164) Species: 2336 (Thermotoga maritima)

SGKLTVITGPMYSGKTTELLSFVEIYKLGKKKVAVFKPKNGVEAHVIERP
EEMRKYIEEDTRGVFIDEVQFFNPSLFEVVKDLLDRGIDVFCAGLDLTHK
QNPFETTALLLSLADTVIKKKAVCHRCGEYNATLTLKVAGEEEIDVGGQE
KYIAVCRDCYNTLK

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2qqe Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2qqe Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): C140 C143 C176
• Binding residue (residue number reindexed from 1): C124 C127 C159
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.21: thymidine kinase.

Gene Ontology

Molecular Function

• GO:0004797 thymidine kinase activity
• GO:0005524 ATP binding
• GO:0008270 zinc ion binding
• GO:0016301 kinase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006259 DNA metabolic process
• GO:0009157 deoxyribonucleoside monophosphate biosynthetic process
• GO:0016310 phosphorylation
• GO:0046104 thymidine metabolic process
• GO:0071897 DNA biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2qqe, PDBe:2qqe, PDBj:2qqe
• PDBsum: 2qqe
• PubMed: 18073106
• UniProt: Q9WYN2|KITH_THEMA Thymidine kinase (Gene Name=tdk)