Cloned (Comment) | Organism |
---|---|
- |
Cryptosporidium parvum |
Crystallization (Comment) | Organism |
---|---|
hanging drop vapour diffusion method, to 3.2 A resolution, space group P21212. In complex with inhibitor N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide, to 2.8 A resolution. The thiazole ring of the inhibitor stacks against the purine ring of IMP perpendicularly, and the remainder of the inhibitor extends across the subunit interface into a pocket in the adjacent monomer, where the bromoaniline moiety interacts with Tyr358 from the adjacent subunit. This residue forms a hydrogen-bonding network involving Glu329, Ser354, Thr221, and possibly the amide nitrogen of N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide. Residues Ser22, Pro26, Gly357 of the adjacent subunit and Ala165 form the remainder of the inhibitor binding pocket. With the exception of Thr221, all of these residues are different in human IMPDHs | Cryptosporidium parvum |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
N-(2,3-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide | poor inhibition of human IMPDH2 | Cryptosporidium parvum | |
N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide | crystallization data. Poor inhibition of human IMPDH2 | Cryptosporidium parvum | |
N-(naphthalen-2-yl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide | poor inhibition of human IMPDH2 | Cryptosporidium parvum | |
N-(naphthalen-2-yl)-2-[2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetamide | poor inhibition of human IMPDH2 | Cryptosporidium parvum |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Cryptosporidium parvum | Q8T6T2 | - |
- |
Purification (Comment) | Organism |
---|---|
recombnant enzyme | Cryptosporidium parvum |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000007 | - |
pH not specified in the publication, temperature not specified in the publication | Cryptosporidium parvum | N-(naphthalen-2-yl)-2-[2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetamide | |
0.000008 | - |
pH not specified in the publication, temperature not specified in the publication | Cryptosporidium parvum | N-(naphthalen-2-yl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide | |
0.000018 | - |
pH not specified in the publication, temperature not specified in the publication | Cryptosporidium parvum | N-(2,3-dichlorophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide | |
0.000028 | - |
pH not specified in the publication, temperature not specified in the publication | Cryptosporidium parvum | N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide |