Structure of PDB 4unq Chain A

Receptor sequence
>4unqA (length=186) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAE
ALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASN
AAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAEDAELQQ
RTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAP
3D structure
PDB4unq Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
ChainA
Resolution2.3 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.4.9: dTMP kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 H6D A P37 F70 R74 R95 S99 N100 Y103 S104 R107 P37 F70 R74 R95 S99 N100 Y103 S104 R107 MOAD: ic50=0.24uM
PDBbind-CN: -logKd/Ki=6.62,IC50=0.24uM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004798 thymidylate kinase activity
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016301 kinase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006227 dUDP biosynthetic process
GO:0006233 dTDP biosynthetic process
GO:0006235 dTTP biosynthetic process
GO:0009165 nucleotide biosynthetic process
GO:0016310 phosphorylation
GO:0046044 TMP metabolic process
GO:0046940 nucleoside monophosphate phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:4unq, PDBe:4unq, PDBj:4unq
PDBsum4unq
PubMed25486447
UniProtP9WKE1|KTHY_MYCTU Thymidylate kinase (Gene Name=tmk)

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