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Literature summary for 2.7.4.22 extracted from

  • Arvind, A.; Jain, V.; Saravanan, P.; Mohan, C.G.
    Uridine monophosphate kinase as potential target for tuberculosis: from target to lead identification (2013), Interdiscip. Sci. Comput. Life Sci., 5, 296-311.
    View publication on PubMed
Search for more literature for 2.7.4.22

Activating Compound

Activating Compound Comment Organism Structure
GTP allosteric activation Mycobacterium tuberculosis

Application

Application Comment Organism
drug development the enzyme is a potential drug target for developing novel anti-tuberculosis drugs Mycobacterium tuberculosis

Cloned(Commentary)

Cloned (Comment) Organism
gene pyrH or Rv2883c, sequence comparisons and phylogenetic analysis and tree Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
1-[([5-oxo-4-[(2R)-tetrahydrofuran-2-ylmethyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl)acetyl]piperidine-4-carboxylic acid
-
 Mycobacterium tuberculosis
2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(2-methoxybenzyl)-1H-pyrazol-5-yl]acetamide
-
 Mycobacterium tuberculosis
4-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid
-
 Mycobacterium tuberculosis
4-[2-amino-4-(4-methoxyphenyl)-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid
-
 Mycobacterium tuberculosis
5-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)methyl]furan-2-carboxylic acid hydrogen bonding interactions of ZINC12561276 molecule with the active site residues of Mtb-UMPK homology model, overview Mycobacterium tuberculosis
additional information structure-based inhibitor design, inhibitor screening and molecular docking study Mycobacterium tuberculosis
N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(methylsulfonyl)amino]methyl]tetrahydrofuran-2-yl]-N-methylacetamide
-
 Mycobacterium tuberculosis
UTP physiological inhibitor Mycobacterium tuberculosis

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + UMP Mycobacterium tuberculosis
-
 ADP + UDP
-
 r
ATP + UMP Mycobacterium tuberculosis H37Rv
-
 ADP + UDP
-
 r

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WHK5 gene pyrH or Rv2883c
-
Mycobacterium tuberculosis H37Rv P9WHK5 gene pyrH or Rv2883c
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + UMP
-
 Mycobacterium tuberculosis ADP + UDP
-
 r
ATP + UMP
-
 Mycobacterium tuberculosis H37Rv ADP + UDP
-
 r

Synonyms

Synonyms Comment Organism
UMPK
-
 Mycobacterium tuberculosis
uridine monophosphate kinase
-
 Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
ADP
-
 Mycobacterium tuberculosis
ATP
-
 Mycobacterium tuberculosis

General Information

General Information Comment Organism
evolution the sequence motif Gly76-Gly77-Gly78-Asn79 is specific for bacterial UMPKs and most of the conserved sequences are not present in the eukaryotic UMP/UMP-CMP kinases Mycobacterium tuberculosis
additional information homology modeling of Mtb-UMPK on the basis of the crystal structure of Escherichia coli-UMPK, structure-function relationships, molecular dynamics study, active-site modeling of the Mtb-UMPK, overview. Six lead molecules make strong hydrogen bonding interactions with Lys36, Gly39, Gly77, Gly78, Asp97, Ser164, and Thr165 amino acid residues in Mtb-UMPK model Mycobacterium tuberculosis
physiological function the allosteric regulation mechanism of the enzyme maintains the balance between synthesis of purine and pyrimidine nucleoside triphosphates Mycobacterium tuberculosis