Crystallization (Comment) | Organism |
---|---|
homology modeling of structure of chorismate synthase along with cofactor FMN using crystal structure of Helicobacter pylori chorismate synthase. Each monomer of Plasmodium falciparum chorismate synthase consists of 10 helices and 13 sheets. The core of monomer has a unique beta-alpha-beta sandwich fold that appears as a three layered structure in the predicted model. This unique fold consists of two antiparallel five stranded beta-sheet layers and four alpha-helices which are sandwiched between these two beta-sheet layers. The unique beta-alpha-beta-sandwich provides a scaffold for cofactor and substrate binding. The residues involved in polar interactions with substrate 5-enolpyruvylshikimate-3-phosphate are Arg46, Lys60, Asp61, Lys90, Ser121, Ser122 and Arg491 | Plasmodium falciparum |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(3R,4R,5R)-5-(carboxymethoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | - |
Plasmodium falciparum | |
(3R,4S,5R)-4-hydroxy-3-[(2S)-1-hydroxy-1-oxo-2-phosphonooxypropan-2-yl]oxy-5-phosphonooxycyclohexene-1-carboxylic acid | - |
Plasmodium falciparum | |
(3R,4S,5R)-5-(1-carboxyethoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | - |
Plasmodium falciparum | |
(3R,4S,5R)-5-[(1R)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | - |
Plasmodium falciparum | |
(3R,4S,5S,6S)-5-(1-carboxyethenoxy)-6-fluoro-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | - |
Plasmodium falciparum | |
2-difluoro-[1-phosphonooxyethoxy]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | - |
Plasmodium falciparum |
Molecular Weight [Da] | Molecular Weight Maximum [Da] | Comment | Organism |
---|---|---|---|
59000 | - |
x * 59000, calculated | Plasmodium falciparum |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Plasmodium falciparum | O15864 | - |
- |
Subunits | Comment | Organism |
---|---|---|
? | x * 59000, calculated | Plasmodium falciparum |
Synonyms | Comment | Organism |
---|---|---|
aroC | - |
Plasmodium falciparum |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
FMN | - |
Plasmodium falciparum |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000109 | - |
(3R,4S,5R)-4-hydroxy-3-[(2S)-1-hydroxy-1-oxo-2-phosphonooxypropan-2-yl]oxy-5-phosphonooxycyclohexene-1-carboxylic acid | theoretical Ki value obtained using AUTODOCK software version 4, pH not specified in the publication, temperature not specified in the publication | Plasmodium falciparum | |
0.000192 | - |
(3R,4S,5R)-5-(1-carboxyethoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | theoretical Ki value obtained using AUTODOCK software version 4, pH not specified in the publication, temperature not specified in the publication | Plasmodium falciparum | |
0.000526 | - |
(3R,4S,5R)-5-[(1R)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | theoretical Ki value obtained using AUTODOCK software version 4, pH not specified in the publication, temperature not specified in the publication | Plasmodium falciparum | |
0.00061 | - |
2-difluoro-[1-phosphonooxyethoxy]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | theoretical Ki value obtained using AUTODOCK software version 4, pH not specified in the publication, temperature not specified in the publication | Plasmodium falciparum | |
0.000815 | - |
(3R,4S,5S,6S)-5-(1-carboxyethenoxy)-6-fluoro-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | theoretical Ki value obtained using AUTODOCK software version 4, pH not specified in the publication, temperature not specified in the publication | Plasmodium falciparum | |
0.00179 | - |
(3R,4R,5R)-5-(carboxymethoxy)-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid | theoretical Ki value obtained using AUTODOCK software version 4, pH not specified in the publication, temperature not specified in the publication | Plasmodium falciparum |
Organism | Comment | pI Value Maximum | pI Value |
---|---|---|---|
Plasmodium falciparum | calculated | - |
6.8 |