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Literature summary for 2.7.7.60 extracted from

  • Kumar, P.; Kumar, M.; Kumar, H.; Rana, S.; Kumar, J.; Sahoo, G.
    In silico targeting methylerythritol phosphate pathway IspD enzyme of Mycobacterium tuberculosis for novel anti-mycobacterial drug discovery (2020), J. Appl. Pharm. Sci., 10, 23-29 .
No PubMed abstract available
Search for more literature for 2.7.7.60

Inhibitors

Inhibitors Comment Organism Structure
1H-pyrrolo(2,3-b)quinoxaline
-
 Mycobacterium tuberculosis
9H-pyrrolo[2,3f]quinoxaline
-
 Mycobacterium tuberculosis
but-3-enyl diphosphate
-
 Mycobacterium tuberculosis
D-erythritol 1-phosphate
-
 Mycobacterium tuberculosis
fosmidomycin
-
 Mycobacterium tuberculosis
ketoclomazone
-
 Mycobacterium tuberculosis
methyl hydroxytriazaindolizine
-
 Mycobacterium tuberculosis
additional information inhibitor screening and enzyme-inhibitor molecular docking study using enzyme structure with bound CTP and Mg2+ (PDB ID 3Q7U). The attached CTP and Mg2+ ion are deleted from the structure, followed by refinement of the protein subunit. The crucial active site residues Gly16, Arg83, Thr84, and Thy190 play a vital role in the protein-ligand stabilization process Mycobacterium tuberculosis
prop-2-yn-1-yl trihydrogen diphosphate schembl1651692 Mycobacterium tuberculosis
propyl trihydrogen diphosphate
-
 Mycobacterium tuberculosis
pyrrolo[1,2-a]quinoxaline
-
 Mycobacterium tuberculosis
rosuvastatin RST, significantly interacts at the active site of the enzyme. Active-site residues Gly16, Arg83, Thr84, and Thy190 are potentially contributing to the protein-ligand interaction Mycobacterium tuberculosis
sulfanilamide
-
 Mycobacterium tuberculosis
triazolopyrimidine derivative PubChem CID 330031 Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
CTP + 2-C-methyl-D-erythritol 4-phosphate Mycobacterium tuberculosis
-
 diphosphate + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
 ?
CTP + 2-C-methyl-D-erythritol 4-phosphate Mycobacterium tuberculosis H37Rv
-
 diphosphate + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
 ?
CTP + 2-C-methyl-D-erythritol 4-phosphate Mycobacterium tuberculosis ATCC 25618
-
 diphosphate + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
 ?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WKG9
-
-
Mycobacterium tuberculosis ATCC 25618 P9WKG9
-
-
Mycobacterium tuberculosis H37Rv P9WKG9
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
CTP + 2-C-methyl-D-erythritol 4-phosphate
-
 Mycobacterium tuberculosis diphosphate + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
 ?
CTP + 2-C-methyl-D-erythritol 4-phosphate
-
 Mycobacterium tuberculosis H37Rv diphosphate + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
 ?
CTP + 2-C-methyl-D-erythritol 4-phosphate
-
 Mycobacterium tuberculosis ATCC 25618 diphosphate + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
-
 ?

Subunits

Subunits Comment Organism
dimer the beta-domains of the monomers are mainly responsible for the formation of the dimer Mycobacterium tuberculosis

Synonyms

Synonyms Comment Organism
IspD
-
 Mycobacterium tuberculosis

General Information

General Information Comment Organism
additional information the enzyme's catalytic pocket, which actively participates in interaction with ligands, mainly consists of polar amino acid residues, three-dimensional modeling of the IspD protein Mycobacterium tuberculosis