Structure of PDB 5nr7 Chain A

Receptor sequence
>5nr7A (length=188) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAE
ALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASN
AAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELRDAEL
QQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAP
3D structure
PDB5nr7 Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
ChainA
Resolution2.35 Å
3D
structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 YUI A P37 L52 H53 F70 R74 R95 S99 N100 Y103 P37 L52 H53 F70 R74 R95 S99 N100 Y103 MOAD: ic50=0.95uM
PDBbind-CN: -logKd/Ki=6.02,IC50=0.95uM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5nr7, PDBe:5nr7, PDBj:5nr7
PDBsum5nr7
PubMed29510037
UniProtP9WKE1|KTHY_MYCTU Thymidylate kinase (Gene Name=tmk)

[Back to BioLiP]