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Literature summary 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

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

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
3.5.1.103 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)

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

Organism

EC Number Organism UniProt Comment Textmining
3.5.1.103 Mycobacterium tuberculosis P9WJN3
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-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.5.1.103 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 ?
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 ?
3.5.1.103 N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside + H2O
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 Mycobacterium tuberculosis 1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside + acetate
-
 ?

Subunits

EC Number Subunits Comment Organism
3.5.1.103 tetramer
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 Mycobacterium tuberculosis

Synonyms

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

General Information

EC Number General Information Comment Organism
3.5.1.103 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
3.5.1.103 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