Structure of PDB 2orw Chain B Binding Site BS01

Receptor Information
>2orw Chain B (length=173) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGKLTVITGPMYSGKTTELLSFVEIYKLGKKKVAVFKPKIDTMIVSHGVE
AHVIERPEEMRKYIEEDTRGVFIDEVQFFNPSLFEVVKDLLDRGIDVFCA
GLDLTHKQNPFETTALLLSLADTVIKKKAVCHRCGEYNATLTLKVAGGEE
EIDVGGQEKYIAVCRDCYNTLKK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2orw Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2orw Binding of ATP to TK1-like Enzymes Is Associated with a Conformational Change in the Quaternary Structure.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		C140 C143 C173 C176
Binding residue
(residue number reindexed from 1)		C131 C134 C164 C167
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2orw, PDBe:2orw, PDBj:2orw
PDBsum2orw
PubMed17407781
UniProtQ9WYN2|KITH_THEMA Thymidine kinase (Gene Name=tdk)

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