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0YB 2-(3-bromophenoxy)-4-{(1r)-3,3-dimethyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
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Code : 4GFD   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Thymidylate kinase (TMK) from S. Aureus in complex with TK-666
Release Data : 2012-10-24
Compound :
mol_id molecule chains synonym
1 Thymidylate kinase A,B dTMP kinase
ec: 2.7.4.9
Source :
mol_id organism_scientific expression_system
1 Staphylococcus aureus subsp. aureus  (taxid:158879) Escherichia coli  (taxid:562)
strain: strain Mu50
gene: SA0440, tmk
expression_system_strain: BL21 DE3 pLysS
expression_system_vector_type: pET30a
expression_system_plasmid: pLH1520
Authors : Olivier, N.B., Martinez-Botella, G., Keating, T.
Keywords : kinase, thymidine monphosphate, soluble, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

In Vivo Validation of Thymidylate Kinase (TMK) with a Rationally Designed, Selective Antibacterial Compound.

Keating, T.A.,Newman, J.V.,Olivier, N.B.  et al.
(2012)  Acs Chem.Biol.  7 : 1866 - 1872

PubMed: 22908966
DOI: 10.1021/cb300316n

Chain : A, B
UniProt : P65249 (KTHY_STAAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + dTMP = ADP + dTDP 2.7.4.9 HAMAP- Rule:MF_00165
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