Target
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Ligand
BDBM22113
Substrate
BDBM22111
Meas. Tech.
MTAP/MTAN Inhibition Assay
pH
7±n/a
Temperature
295.15±n/a K
Ki
0.048±0.003 nM
Km
430±n/a nM
Comments
Ki is the dissociation constant for the first step in the two-step binding characteristic of slow-onset tight-binding inhibition.
Citation
 Evans, GBFurneaux, RHGreatrex, BMurkin, ASSchramm, VLTyler, PC Azetidine based transition state analogue inhibitors of N-ribosyl hydrolases and phosphorylases. J Med Chem 51:948-56 (2008) [PubMed]  Article 
Target
Name:
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Synonyms:
5 -methylthioadenosine nucleosidase | 5'-methylthioadenosine nucleosidase | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (MTAN) | MTA/SAH nucleosidase | MTAN | MTNN_ECOLI | Methylthioadenosine Nucleosidase(MTAN) | P46 | S-adenosylhomocysteine nucleosidase | mtn | mtnN | pfs | yadA
Type:
Enzyme
Mol. Mass.:
24347.14
Organism:
Escherichia coli (strain K12)
Description:
P0AF12
Residue:
232
Sequence:
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKLAHG
  
Inhibitor
Name:
BDBM22113
Synonyms:
(3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol | (3R,4S)-1-[(9-Deazaadenin-9-yl)methyl]-3-hydroxy-4-methylthiomethylpyrrolidine, 7 | DADMe-ImmA-Me | MT-DADMe-ImmA
Type:
n/a
Emp. Form.:
C13H19N5OS
Mol. Mass.:
293.388
SMILES:
CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM22111
Synonyms:
(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol | (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol | 5'-Methylthioado | 5-methylthioadenosine | CHEMBL277041 | MTA
Type:
Nucleoside or nucleotide
Emp. Form.:
C11H15N5O3S
Mol. Mass.:
297.334
SMILES:
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Structure:
Search PDB for entries with ligand similarity: