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Literature summary extracted from

  • Cosconati, S.; Hong, J.A.; Novellino, E.; Carroll, K.S.; Goodsell, D.S.; Olson, A.J.
    Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5'-phosphosulfate reductase inhibitors (2008), J. Med. Chem., 51, 6627-6630.
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.8.99.2 additional information inhibitor binding structure, binding energies, dissociation constants, and inhibition mechanisms, overview Mycobacterium tuberculosis

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
1.8.99.2 Fe2+ the enzyme contains a [4Fe-4S] cluster cofactor Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.8.99.2 adenylyl sulfate + cofactor sulfide Mycobacterium tuberculosis the enzyme catalyzes the first committed step in bacterial sulfate reduction AMP + sulfite + cofactor disulfide
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 ?

Organism

EC Number Organism UniProt Comment Textmining
1.8.99.2 Mycobacterium tuberculosis
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 gene cysH
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Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.8.99.2 adenylyl sulfate + cofactor sulfide the enzyme catalyzes the first committed step in bacterial sulfate reduction Mycobacterium tuberculosis AMP + sulfite + cofactor disulfide
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 ?
1.8.99.2 adenylyl sulfate + cofactor sulfide conserved and semiconserved residues participate in four main-chain hydrogen bonds with adenine and the ribose O2'-hydroxyl, interaction between the phosphosulfate and APSR occurs via strictly conserved residues K144, R242, and R245, the phosphosulfate is also positioned opposite an [4Fe-4S] cofactor and Cys140. However, the substrate is not in direct contact with the [4Fe-4S] cluster, overview Mycobacterium tuberculosis AMP + sulfite + cofactor disulfide
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 ?

Synonyms

EC Number Synonyms Comment Organism
1.8.99.2 adenosine 5'-phosphosulfate reductase
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 Mycobacterium tuberculosis
1.8.99.2 APSR
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 Mycobacterium tuberculosis

Cofactor

EC Number Cofactor Comment Organism Structure
1.8.99.2 additional information the enzyme contains a [4Fe-4S] cluster cofactor Mycobacterium tuberculosis