Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine Phosphosulfate Reductase (APSR)
LigandBDBM25462
Substrate/CompetitorBDBM25461
Meas. Tech.Determination of Dissociation Constant (Kd)
pH7.5±n/a
Temperature303.15±n/a K
Kd 37110±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
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM25462
NameBDBM25462
Synonyms:2,3-dinitro-9H-fluoren-9-one | NSC133896
TypeSmall organic molecule
Emp. Form.C13H6N2O5
Mol. Mass.270.1971
SMILES[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: