Het-PDB Navi2 (PDB: 5NQ5)

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Ligands
Code	Name		Style	Show	Link
952	5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione				PoSSuM

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Download interaction data: 5NQ5

Code :

5NQ5 PDBj RCSB PDB PDBe

Header :

TRANSFERASE

Title :

Mtb TMK crystal structure in complex with compound 1

Release Data :

2018-03-21

Compound :

mol_id	molecule	chains	synonym
1	Thymidylate kinase	A	Thymidine monophosphate kinase,dTMP kinase,TMPK
	ec: 2.7.4.9

Source :

mol_id	organism_scientific	expression_system
1	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (taxid:83332)	Escherichia coli (taxid:562)
	gene: tmk, Rv3247c expression_system_variant: BLi5

Authors :

Merceron, R., Song, L., Munier-Lehmann, H., Van Calenbergh, S., Savvides, S.

Keywords :

Thymidylate kinase, Nucleotide Binding, inhibitor, Transferase

Exp. method :

X-RAY DIFFRACTION ( 2.850 Å )

Citation :

Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.

Song, L.,Merceron, R.,Gracia, B. et al.
(2018) J. Med. Chem. 61 : 2753 - 2775

Chain :

UniProt :

P9WKE1 (KTHY_MYCTU)

PDB ID: 5NQ5