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Literature summary for extracted from

  • Huang, X.; Hernick, M.
    Automated docking studies provide insights into molecular determinants of ligand recognition by N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase (MshB) (2014), Biopolymers, 101, 406-417.
    View publication on PubMed


Application Comment Organism
drug development enzyme MshB is a target for the discovery of drugs to treat tuberculosis Mycobacterium tuberculosis


Metals/Ions Comment Organism Structure
Zn2+ zinc-metalloenzyme, the bound zinc ion is coordinated in the active site by His13, His147, and Asp16, and two water molecules Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside + H2O Mycobacterium tuberculosis
1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside + acetate


Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WJN3

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information molecular determinants of MshB substrate specificity, docking analysis and simulations, a hydrophobic cavity adjacent to the active site may be one important determinant of MshB substrate specificity, the side chains of Asp15, His144, Asp146 and Tyr142 are important contributors to MshB catalytic activity, and Tyr142 appears to be a dynamic side chain that participates throughout the catalytic cycle, participating in substrate binding, chemistry, and product release Mycobacterium tuberculosis ?
N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside + H2O
Mycobacterium tuberculosis 1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside + acetate


Subunits Comment Organism
Mycobacterium tuberculosis


Synonyms Comment Organism
Mycobacterium tuberculosis
N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase
Mycobacterium tuberculosis

General Information

General Information Comment Organism
metabolism the zinc-based deacetylase catalyzes the fourth step in mycothiol biosynthesis, the deacetylation of N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside to form 1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside and acetate Mycobacterium tuberculosis
additional information the core structure of MshB contains two homologous domains comprised of two alpha-helices sandwiched by a five-stranded beta-sheet, three-dimensional structure of MshB, Zn-MshB, PDB ID 1Q74 Mycobacterium tuberculosis