Cloned (Comment) | Organism |
---|---|
expression of a truncated form of SecA lacking the C-terminal inhibitory domain | Escherichia coli |
Crystallization (Comment) | Organism |
---|---|
molecular docking of inhibitor 2-((4-azidobenzyl)thio)-4-(4-(benzyloxy)phenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile. The azido group points towards hydrophilic residues including A/Asp512, A/Arg509, A/Gly510 and A/Thr511. The torsion around the -CH2O- atoms between the two phenyl groups allows the terminal phenyl group to rest in a pocket away from the hydrophilic residues B/Thr511, B/Gly510 and B/Glu487. Most of the active inhibitors seem to bind at the interface of chains A and B | Escherichia coli |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-((4-azidobenzyl)thio)-4-(4-(benzyloxy)phenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile | good antimicrobial inhibition with MIC of 12.5 microM | Escherichia coli | |
2-((4-azidobenzyl)thio)-6-oxo-4-(4-phenoxyphenyl)-1,6-dihydropyrimidine-5-carbonitrile | good antimicrobial inhibition with MIC of 18.2 microM | Escherichia coli |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Escherichia coli | P10408 | - |
- |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0022 | - |
37°C, pH not specified in the publication | Escherichia coli | 2-((4-azidobenzyl)thio)-6-oxo-4-(4-phenoxyphenyl)-1,6-dihydropyrimidine-5-carbonitrile | |
0.0024 | - |
37°C, pH not specified in the publication | Escherichia coli | 2-((4-azidobenzyl)thio)-4-(4-(benzyloxy)phenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |