Cloned (Comment) | Organism |
---|---|
expression of wild-type and mutant enzymes in Escherichia coli strain BL21 (DE3) | Homo sapiens |
Crystallization (Comment) | Organism |
---|---|
enzyme mutant Q35S/N64S in complex with NADPH and inhibitor N-(4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid, and enzyme mutant Q35K in complex with NADPH and inhibitor N-{4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl}-L-glutamic acid, X-ray diffraction structure determination and analysis at 1.2-1.5 A resolution | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-5-[(2-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-5-[(2-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-5-[(2-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-5-[(3,4-dichlorophenyl)thio]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-5-[(3,4-dichlorophenyl)thio]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-5-[(3,4-dichlorophenyl)thio]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-5-[(3,5-dichlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]-pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-5-[(3,5-dichlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]-pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-5-[(3,5-dichlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]-pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-5-[(3,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-5-[(3,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-5-[(3,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-5-[(4-bromophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-5-[(4-bromophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-5-[(4-bromophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-5-[(4-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-5-[(4-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-5-[(4-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-6-ethyl-5-(2-naphthylthio)thieno[2,3-d ]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-6-ethyl-5-(2-naphthylthio)thieno[2,3-d ]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-6-ethyl-5-(2-naphthylthio)thieno[2,3-d ]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-6-ethyl-5-(phenylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-6-ethyl-5-(phenylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-6-ethyl-5-(phenylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-6-ethyl-5-(pyridin-4-ylsulfanyl)thieno[2,3-d ]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-6-ethyl-5-(pyridin-4-ylsulfanyl)thieno[2,3-d ]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-6-ethyl-5-(pyridin-4-ylsulfanyl)thieno[2,3-d ]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]thieno[2,3-d ]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]thieno[2,3-d ]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]thieno[2,3-d ]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
2-amino-6-ethyl-5-[(4-nitrophenyl)sulfanyl]thieno[2,3-d]pyrimidin-4(3H)-one | - |
Escherichia coli | |
2-amino-6-ethyl-5-[(4-nitrophenyl)sulfanyl]thieno[2,3-d]pyrimidin-4(3H)-one | - |
Homo sapiens | |
2-amino-6-ethyl-5-[(4-nitrophenyl)sulfanyl]thieno[2,3-d]pyrimidin-4(3H)-one | - |
Toxoplasma gondii | |
methotrexate | - |
Escherichia coli | |
methotrexate | - |
Homo sapiens | |
methotrexate | - |
Toxoplasma gondii | |
N-(4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | - |
Escherichia coli | |
N-(4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | - |
Homo sapiens | |
N-(4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | - |
Toxoplasma gondii | |
N-(4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | - |
Escherichia coli | |
N-(4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | - |
Homo sapiens | |
N-(4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | - |
Toxoplasma gondii | |
nolatrexed | - |
Escherichia coli | |
nolatrexed | - |
Homo sapiens | |
nolatrexed | - |
Toxoplasma gondii | |
pemetrexed | - |
Escherichia coli | |
pemetrexed | - |
Homo sapiens | |
pemetrexed | - |
Toxoplasma gondii | |
permetrexed | - |
Escherichia coli | |
permetrexed | - |
Homo sapiens | |
permetrexed | - |
Toxoplasma gondii | |
piritrexim | - |
Escherichia coli | |
piritrexim | - |
Homo sapiens | |
piritrexim | - |
Toxoplasma gondii | |
plevitrexed | - |
Escherichia coli | |
plevitrexed | - |
Homo sapiens | |
plevitrexed | - |
Toxoplasma gondii | |
raltitrexed | - |
Escherichia coli | |
raltitrexed | - |
Homo sapiens | |
raltitrexed | - |
Toxoplasma gondii | |
trimethoprim | - |
Escherichia coli | |
trimethoprim | - |
Homo sapiens | |
trimethoprim | - |
Toxoplasma gondii | |
trimetrexate | - |
Escherichia coli | |
trimetrexate | - |
Homo sapiens | |
trimetrexate | - |
Toxoplasma gondii |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
7,8-dihydrofolate + NADPH + H+ | Escherichia coli | - |
5,6,7,8-tetrahydrofolate + NADP+ | - |
? | |
7,8-dihydrofolate + NADPH + H+ | Toxoplasma gondii | - |
5,6,7,8-tetrahydrofolate + NADP+ | - |
? | |
7,8-dihydrofolate + NADPH + H+ | Homo sapiens | - |
5,6,7,8-tetrahydrofolate + NADP+ | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Escherichia coli | - |
- |
- |
Homo sapiens | P00374 | - |
- |
Toxoplasma gondii | - |
- |
- |
Purification (Comment) | Organism |
---|---|
recombinant wild-type and mutant enzymes from Escherichia coli strain BL21 (DE3) | Homo sapiens |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
7,8-dihydrofolate + NADPH + H+ | - |
Escherichia coli | 5,6,7,8-tetrahydrofolate + NADP+ | - |
? | |
7,8-dihydrofolate + NADPH + H+ | - |
Toxoplasma gondii | 5,6,7,8-tetrahydrofolate + NADP+ | - |
? | |
7,8-dihydrofolate + NADPH + H+ | - |
Homo sapiens | 5,6,7,8-tetrahydrofolate + NADP+ | - |
? |
Synonyms | Comment | Organism |
---|---|---|
DHFR | - |
Escherichia coli |
DHFR | - |
Toxoplasma gondii |
DHFR | - |
Homo sapiens |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Escherichia coli |
37 | - |
assay at | Toxoplasma gondii |
37 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7 | - |
assay at | Escherichia coli |
7 | - |
assay at | Toxoplasma gondii |
7 | - |
assay at | Homo sapiens |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NADPH | - |
Escherichia coli | |
NADPH | - |
Toxoplasma gondii | |
NADPH | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0000000088 | - |
pH 7.0, 37°C | Escherichia coli | methotrexate | |
0.00000001 | - |
pH 7.0, 37°C | Escherichia coli | trimethoprim | |
0.000000019 | - |
pH 7.0, 37°C | Homo sapiens | N-(4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | |
0.00000002 | - |
pH 7.0, 37°C | Homo sapiens | methotrexate | |
0.00000002 | - |
pH 7.0, 37°C | Homo sapiens | N-(4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | |
0.0000002 | - |
pH 7.0, 37°C | Escherichia coli | N-(4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | |
0.00000026 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-6-ethyl-5-[(4-nitrophenyl)sulfanyl]thieno[2,3-d]pyrimidin-4(3H)-one | |
0.00000026 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-5-[(4-bromophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.00000028 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-5-[(3,5-dichlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]-pyrimidin-4(3H)-one | |
0.00000029 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-5-[(3,4-dichlorophenyl)thio]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.0000003 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-5-[(4-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one | |
0.0000003 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.00000035 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-6-ethyl-5-(pyridin-4-ylsulfanyl)thieno[2,3-d ]pyrimidin-4(3H)-one | |
0.00000054 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-5-[(3,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.0000006 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-5-[(2-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.00000062 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]thieno[2,3-d ]pyrimidin-4(3H)-one | |
0.00000084 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000001 | - |
pH 7.0, 37°C | Escherichia coli | N-(4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | |
0.0000021 | - |
pH 7.0, 37°C | Toxoplasma gondii | N-(4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | |
0.0000022 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-6-ethyl-5-(2-naphthylthio)thieno[2,3-d ]pyrimidin-4(3H)-one | |
0.0000026 | - |
pH 7.0, 37°C | Homo sapiens | 2-amino-6-ethyl-5-(phenylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one | |
0.0000028 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-5-[(3,5-dichlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]-pyrimidin-4(3H)-one | |
0.000003 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.0000066 | - |
pH 7.0, 37°C | Homo sapiens | pemetrexed | |
0.000008 | - |
pH 7.0, 37°C | Toxoplasma gondii | N-(4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d ]pyrimidin-5-yl)thio]benzoyl)-L-glutamic acid | |
0.0000081 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-5-[(3,4-dichlorophenyl)thio]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.0000084 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-6-ethyl-5-(2-naphthylthio)thieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000009 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-5-[(4-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one | |
0.000012 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000013 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-5-[(4-bromophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000014 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000014 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-5-[(3,5-dichlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]-pyrimidin-4(3H)-one | |
0.000017 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-6-ethyl-5-(pyridin-4-ylsulfanyl)thieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000022 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-5-[(3,4-dichlorophenyl)thio]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000024 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-5-[(3,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000025 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]thieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000027 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-5-[(3,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000027 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-5-[(2-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000028 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000028 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-6-ethyl-5-(2-naphthylthio)thieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000029 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-5-[(4-bromophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000031 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]thieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000033 | - |
pH 7.0, 37°C | Toxoplasma gondii | methotrexate | |
0.000033 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-6-ethyl-5-(phenylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one | |
0.000033 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-6-ethyl-5-(phenylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one | |
0.000033 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-6-ethyl-5-(pyridin-4-ylsulfanyl)thieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000033 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-5-[(2-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d ]pyrimidin-4(3H)-one | |
0.000039 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-6-ethyl-5-[(4-nitrophenyl)sulfanyl]thieno[2,3-d]pyrimidin-4(3H)-one | |
0.000042 | - |
pH 7.0, 37°C | Escherichia coli | 2-amino-5-[(4-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one | |
0.000087 | - |
pH 7.0, 37°C | Toxoplasma gondii | 2-amino-6-ethyl-5-[(4-nitrophenyl)sulfanyl]thieno[2,3-d]pyrimidin-4(3H)-one | |
0.00023 | - |
pH 7.0, 37°C | Escherichia coli | pemetrexed | |
0.00034 | - |
pH 7.0, 37°C | Homo sapiens | trimethoprim | |
0.00043 | - |
pH 7.0, 37°C | Toxoplasma gondii | pemetrexed | |
0.0068 | - |
pH 7.0, 37°C | Toxoplasma gondii | trimethoprim |