Structure of PDB 5nq5 Chain A

Receptor sequence
>5nq5A (length=191) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAE
ALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASN
AAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLARDNYERDAEL
QQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDV
3D structure
PDB5nq5 Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
ChainA
Resolution2.85 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 952 A F36 L52 M66 F70 R74 R95 N100 Y103 R107 F36 L52 M66 F70 R74 R95 N100 Y103 R107 PDBbind-CN: -logKd/Ki=5.00,IC50=10uM
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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Biological Process
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Cellular Component
External links
PDB RCSB:5nq5, PDBe:5nq5, PDBj:5nq5
PDBsum5nq5
PubMed29510037
UniProtP9WKE1|KTHY_MYCTU Thymidylate kinase (Gene Name=tmk)

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