Brand  (β version)

PDB ID: 4JBY

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Ligands
Code Name Style Show Link
EDO 1,2-ethanediol PoSSuM
FSK 6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4JBY   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78
Release Data : 2013-03-06
Compound :
mol_id molecule chains synonym
1 Thymidine kinase A,B HSV1-TK
ec: 2.7.1.21
fragment: UNP residues 45-376
Source :
mol_id organism_scientific organism_common expression_system
1 Human herpesvirus 1  (taxid:10299) HHV-1 Escherichia coli  (taxid:511693)
strain: 17
gene: TK, TK (UL23), UL23
expression_system_strain: BL21
expression_system_vector_type: plasmid
expression_system_plasmid: pGEX-6P-2
Authors : Pernot, L., Novakovic, I., Westermaier, Y., Perozzo, R., Raic-Malic, S., Scapozza, L.
Keywords : DNA synthesis, PET imaging TRACER, ATP binding, nucleotide binding, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.000 Å )
Citation :

New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer

Pernot, L.,Novakovic, I.,Perozzo, R.  et al.
To be Published 

Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo.

Martic, M.,Pernot, L.,Westermaier, Y.  et al.
(2011)  Nucleosides Nucleotides Nucleic Acids  30 : 293 - 315

PubMed: 21623543
DOI: 10.1080/15257770.2011.581258

A new N-methyl thymine derivative comprising a dihydroxyisobutenyl unit as ligand for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK).

Kristafor, S.,Novakovic, I.,Gazivoda Kraljevic, T.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 6161 - 6165

PubMed: 21911293
DOI: 10.1016/j.bmcl.2011.07.115

Reaction

Chain : A, B
UniProt : P03176
Reaction : -