Structure of PDB 1mrs Chain A

Receptor sequence
>1mrsA (length=208) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAE
ALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASN
AAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERS
RGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDP
GRLAATLA
3D structure
PDB1mrs Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism.
ChainA
Resolution2.0 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 MG A D9 E166 D9 E166
BS02 5HU A D9 P37 Y39 F70 R74 R95 N100 Y103 Y165 D9 P37 Y39 F70 R74 R95 N100 Y103 Y165 MOAD: Ki=110uM
PDBbind-CN: -logKd/Ki=3.96,Ki=110uM
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:1mrs, PDBe:1mrs, PDBj:1mrs
PDBsum1mrs
PubMed12454011
UniProtP9WKE1|KTHY_MYCTU Thymidylate kinase (Gene Name=tmk)

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