Structure of PDB 2j87 Chain C Binding Site BS02

Receptor Information
>2j87 Chain C (length=163) Species: 10245 (Vaccinia virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHIQLIIGPMFSGKSTELIRRVRRYQIAQYKCVTIKYSNDDKNNFEALEA
TKLCDVLQSITDFSVIGIDEGQFFPDIVEFCERMANEGKIVIVAALDGTF
QRKPFNNILNLLILSEMVVKLTAVCMKCFKEASFSKRLGEETEIEIIGGN
DMYQSVCRKCYVG
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 chain2j87 Chain C Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2j87 Structure of Vaccinia Virus Thymidine Kinase in Complex with Dttp: Insights for Drug Design.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		C138 C141 C170
Binding residue
(residue number reindexed from 1)		C125 C128 C157
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:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0009157 deoxyribonucleoside monophosphate biosynthetic process
GO:0016310 phosphorylation
GO:0046104 thymidine metabolic process
GO:0071897 DNA biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2j87, PDBe:2j87, PDBj:2j87
PDBsum2j87
PubMed17062140
UniProtO57203|KITH_VACCA Thymidine kinase (Gene Name=OPG101)

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