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Literature summary for 1.8.99.2 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
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Inhibitors

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

Metals/Ions

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

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
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

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

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
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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 ?
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

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

Cofactor

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