Structure of PDB 2b8t Chain B Binding Site BS01

Receptor Information

>2b8t Chain B (length=189) Species: 134821 (Ureaplasma parvum)

IGWIEFITGPMFAGKTAELIRRLHRLEYADVKYLVFKPKILPSVEVESAP
EILNYIMSNSFNDETKVIGIDEVQFFDDRICEVANILAENGFVVIISGLD
KNFKGEPFGPIAKLFTYADKITKLTAICNECGAEATHSLRKIDGKHADYN
DDIVKIGCQEFYSAVCRHHHKVPNRPYLNSNSEEFIKFF

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: 2b8t Chain B Residue 2218

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2b8t Structure of the substrate complex of thymidine kinase from Ureaplasma urealyticum and investigations of possible drug targets for the enzyme
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): C153 C156 C191 H194
• Binding residue (residue number reindexed from 1): C128 C131 C166 H169
• 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: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:2b8t, PDBe:2b8t, PDBj:2b8t
• PDBsum: 2b8t
• PubMed: 16336273
• UniProt: Q9PPP5|KITH_UREPA Thymidine kinase (Gene Name=tdk)