| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine 5'-phosphosulfate reductase |
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| Ligand | BDBM25469 |
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| Substrate/Competitor | BDBM25461 |
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| Meas. Tech. | Determination of Dissociation Constant (Kd) |
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| pH | 7.5±n/a |
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| Temperature | 303.15±n/a K |
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| Kd | 19510±n/a nM |
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| Citation |  Cosconati, S; Hong, JA; Novellino, E; Carroll, KS; Goodsell, DS; Olson, AJ Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5'-phosphosulfate reductase inhibitors. J Med Chem51:6627-30 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Adenosine 5'-phosphosulfate reductase |
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| Name: | Adenosine 5'-phosphosulfate reductase |
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| Synonyms: | 3-phosphoadenylylsulfate reductase | Adenosine Phosphosulfate Reductase (APSR) | CYSH_MYCTO | PAPS reductase, thioredoxin dependent | PAPS sulfotransferase | PAdoPS reductase | cysH | phosphoadenosine phosphosulfate reductase |
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| Type: | Oxidoreductase |
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| Mol. Mass.: | 27417.08 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | Proteins were expressed by transforming a reductase-containing plasmid into E. coli cells. |
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| Residue: | 254 |
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| Sequence: | MSGETTRLTEPQLRELAARGAAELDGATATDMLRWTDETFGDIGGAGGGVSGHRGWTTCN
YVVASNMADAVLVDLAAKVRPGVPVIFLDTGYHFVETIGTRDAIESVYDVRVLNVTPEHT
VAEQDELLGKDLFARNPHECCRLRKVVPLGKTLRGYSAWVTGLRRVDAPTRANAPLVSFD
ETFKLVKVNPLAAWTDQDVQEYIADNDVLVNPLVREGYPSIGCAPCTAKPAEGADPRSGR
WQGLAKTECGLHAS
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| BDBM25469 |
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| BDBM25461 |
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| Name | BDBM25469 |
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| Synonyms: | 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidopyridin-1-ium | NSC228155 | cid_313619 |
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| Type | Small organic molecule |
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| Emp. Form. | C11H6N4O4S |
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| Mol. Mass. | 290.255 |
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| SMILES | [O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12 |
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| Structure | 
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