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Literature summary extracted from

  • Gurcha, S.S.; Usha, V.; Cox, J.A.; Fuetterer, K.; Abrahams, K.A.; Bhatt, A.; Alderwick, L.J.; Reynolds, R.C.; Loman, N.J.; Nataraj, V.; Alemparte, C.; Barros, D.; Lloyd, A.J.; Ballell, L.; Hobrath, J.V.; Besra, G.S.
    Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target (2014), PLoS ONE, 9, e113568 .
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

EC Number Cloned (Comment) Organism
6.1.1.12 expressed in Escherichia coli C41 (DE3) cells Mycolicibacterium smegmatis
6.1.1.12 expressed in Escherichia coli C41 (DE3) cells Mycobacterium tuberculosis

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
6.1.1.12 sitting drop vapor diffusion method, using 30% (v/v) pentaerythritol ethoxylate, 0.1 M magnesium formate, 0.1 M Tris-HCl, pH 8.5 Mycolicibacterium smegmatis

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.1.1.12 1-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide 84.3% residual activity at 0.3 mM Mycobacterium tuberculosis
6.1.1.12 ethyl 1-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate 87.5% residual activity at 0.1 mM Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
6.1.1.12 ATP + L-aspartate + tRNAAsp Mycolicibacterium smegmatis
-
 AMP + diphosphate + L-aspartyl-tRNAAsp
-
 ?
6.1.1.12 ATP + L-aspartate + tRNAAsp Mycobacterium tuberculosis
-
 AMP + diphosphate + L-aspartyl-tRNAAsp
-
 ?
6.1.1.12 ATP + L-aspartate + tRNAAsp Mycobacterium tuberculosis H37Rv
-
 AMP + diphosphate + L-aspartyl-tRNAAsp
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
6.1.1.12 Mycobacterium tuberculosis P9WFW3
-
-
6.1.1.12 Mycobacterium tuberculosis H37Rv P9WFW3
-
-
6.1.1.12 Mycolicibacterium smegmatis
-
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
6.1.1.12 Ni2+-Sepharose column chromatography Mycobacterium tuberculosis

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
6.1.1.12 adenosine 5’-[beta,gamma-imido]-triphosphate + L-Asp
-
 Mycobacterium tuberculosis AMP-Asp + imidodiphosphate
-
 ?
6.1.1.12 adenosine 5’-[beta,gamma-imido]-triphosphate + L-Asp
-
 Mycobacterium tuberculosis H37Rv AMP-Asp + imidodiphosphate
-
 ?
6.1.1.12 AMP-Asp + diphosphate
-
 Mycobacterium tuberculosis ATP + L-Asp
-
 ?
6.1.1.12 AMP-Asp + diphosphate
-
 Mycobacterium tuberculosis H37Rv ATP + L-Asp
-
 ?
6.1.1.12 ATP + L-aspartate + tRNAAsp
-
 Mycolicibacterium smegmatis AMP + diphosphate + L-aspartyl-tRNAAsp
-
 ?
6.1.1.12 ATP + L-aspartate + tRNAAsp
-
 Mycobacterium tuberculosis AMP + diphosphate + L-aspartyl-tRNAAsp
-
 ?
6.1.1.12 ATP + L-aspartate + tRNAAsp
-
 Mycobacterium tuberculosis H37Rv AMP + diphosphate + L-aspartyl-tRNAAsp
-
 ?

Synonyms

EC Number Synonyms Comment Organism
6.1.1.12 Aspartyl-tRNA synthetase
-
 Mycolicibacterium smegmatis
6.1.1.12 Aspartyl-tRNA synthetase
-
 Mycobacterium tuberculosis
6.1.1.12 AspS
-
 Mycolicibacterium smegmatis
6.1.1.12 AspS
-
 Mycobacterium tuberculosis

Cofactor

EC Number Cofactor Comment Organism Structure
6.1.1.12 ATP
-
 Mycolicibacterium smegmatis
6.1.1.12 ATP
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
6.1.1.12 0.0499
-
 at pH 7.6 and 37°C Mycobacterium tuberculosis 1-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide
6.1.1.12 0.0591
-
 at pH 7.6 and 37°C Mycobacterium tuberculosis ethyl 1-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate