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TargetAdenosine Phosphosulfate Reductase (APSR)
LigandBDBM25465
Substrate/CompetitorBDBM25461
Meas. Tech.Determination of Dissociation Constant (Kd)
pH7.5±n/a
Temperature303.15±n/a K
Kd 127190±n/a nM
Citation Cosconati, SHong, JANovellino, ECarroll, KSGoodsell, DSOlson, 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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Adenosine Phosphosulfate Reductase (APSR)
Name:Adenosine Phosphosulfate Reductase (APSR)
Synonyms:3-phosphoadenylylsulfate reductase | PAPS reductase, thioredoxin dependent | PAPS sulfotransferase | PAdoPS reductase | phosphoadenosine phosphosulfate reductase
Type:Oxidoreductase
Mol. Mass.:27417.08
Organism:Mycobacterium tuberculosis
Description:Proteins were expressed by transforming a reductase-containing plasmid into E. coli cells.
Residue:254
Sequence:
MSGETTRLTEPQLRELAARGAAELDGATATDMLRWTDETFGDIGGAGGGVSGHRGWTTCN
YVVASNMADAVLVDLAAKVRPGVPVIFLDTGYHFVETIGTRDAIESVYDVRVLNVTPEHT
VAEQDELLGKDLFARNPHECCRLRKVVPLGKTLRGYSAWVTGLRRVDAPTRANAPLVSFD
ETFKLVKVNPLAAWTDQDVQEYIADNDVLVNPLVREGYPSIGCAPCTAKPAEGADPRSGR
WQGLAKTECGLHAS
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BDBM25465
NameBDBM25465
Synonyms:(1R,2R,5S,6S,10S,13S,15R)-5-acetyl-13-hydroxy-6,10-dimethylpentacyclo[13.2.2.0^{1,9}.0^{2,6}.0^{10,15}]nonadeca-8,18-diene-16,17-dicarboxylic acid | NSC9746
TypeSmall organic molecule
Emp. Form.C25H32O6
Mol. Mass.428.518
SMILES[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O |c:23,t:12,THB:15:13:24.25:22.21,11:12:24.25:22.21,14:13:24.25:22.21|
Structure
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BDBM25461
NameBDBM25461
Synonyms:Adenosine 5-Phosphosulfate | Adenosine Phosphosulfate (APS) | Adenylyl sulfate | [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid
TypeNucleoside or nucleotide
Emp. Form.C10H14N5O10PS
Mol. Mass.427.284
SMILESNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O
Structure
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