UniProt P00374
Dihydrofolate reductase (P00374)
Dihydrofolate reductase (UniProt P00374), EC 1.5.1.3: 167 experimental structures and 1 predicted model on GenesisL1, 27 ligands bound, 23 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P00374
- Protein
- Dihydrofolate reductase
- EC
- 1.5.1.3
- Experimental structures
- 167
- Predicted models
- 1
- Ligands
- 27
- Pockets
- 23 · 8 records with a druggable one
Structures
168 records of P00374 in the MolNFT archive: 167 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1BOZ | Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their… | x-ray diffraction | A | — | — |
| 1BOZ | Structure-based design and synthesis of lipophilic 2,4-diamino-6- substituted quinazolines and… | x-ray diffraction | A | — | — |
| 1DHF | Crystal structures of recombinant human dihydrofolate reductase complexed with folate and… | x-ray diffraction | A, B | — | — |
| 1DHF | Crystal structures of recombinant human dihydrofolate reductase complexed with folate and… | x-ray diffraction | A, B | — | — |
| 1DLR | Methotrexate-resistant variants of human dihydrofolate reductase with substitution of leucine 22… | x-ray diffraction | A | — | — |
| 1DLR | Methotrexate-resistant variants of human dihydrofolate reductase with substitution of leucine 22… | x-ray diffraction | A | — | — |
| 1DLS | Methotrexate-resistant variants of human dihydrofolate reductase with substitution of leucine 22… | x-ray diffraction | A | — | — |
| 1DLS | Methotrexate-resistant variants of human dihydrofolate reductase with substitution of leucine 22… | x-ray diffraction | A | — | — |
| 1DRF | Crystal structure of human dihydrofolate reductase complexed with folate | x-ray diffraction | A | — | — |
| 1DRF | Crystal structure of human dihydrofolate reductase complexed with folate | x-ray diffraction | A | — | — |
| 1HFP | Comparison of ternary crystal complexes of human dihydrofolate reductase with NADPH and a classical… | x-ray diffraction | A | — | — |
| 1HFP | Comparison of ternary crystal complexes of human dihydrofolate reductase with NADPH and a classical… | x-ray diffraction | A | — | — |
| 1HFQ | Comparison of ternary crystal complexes of human dihydrofolate reductase with NADPH and a classical… | x-ray diffraction | A | — | — |
| 1HFQ | Comparison of ternary crystal complexes of human dihydrofolate reductase with NADPH and a classical… | x-ray diffraction | A | — | — |
| 1HFR | Comparison of ternary crystal complexes of human dihydrofolate reductase with NADPH and a classical… | x-ray diffraction | A | — | — |
| 1HFR | Comparison of ternary crystal complexes of human dihydrofolate reductase with NADPH and a classical… | x-ray diffraction | A | — | — |
| 1KMS | Human dihydrofolate reductase complexed with NADPH and… | x-ray diffraction | A | — | — |
| 1KMS | Human dihydrofolate reductase complexed with NADPH and 6… | x-ray diffraction | A | — | — |
| 1KMV | Human dihydrofolate reductase complexed with NADPH and… | x-ray diffraction | A | — | — |
| 1KMV | Human dihydrofolate reductase complexed with NADPH and (Z)… | x-ray diffraction | A | — | — |
| 1MVS | Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate… | x-ray diffraction | A | — | — |
| 1MVS | Analysis of two polymorphic forms of a PYRIDO[2,3-D]PYRIMIDINE N9-C10 reverse-bridge antifolate… | x-ray diffraction | A | — | — |
| 1MVT | Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate… | x-ray diffraction | A | — | — |
| 1MVT | Analysis of two polymorphic forms of a PYRIDO[2,3-D]PYRIMIDINE N9-C10 reverse-bridge antifolate… | x-ray diffraction | A | — | — |
| 1OHJ | Human dihydrofolate reductase, monoclinic (P21) crystal form | x-ray diffraction | A | — | — |
| 1OHJ | Human dihydrofolate reductase, monoclinic (P21) crystal form | x-ray diffraction | A | — | — |
| 1OHK | Human dihydrofolate reductase, orthorhombic (P21 21 21) crystal form | x-ray diffraction | A | — | — |
| 1OHK | Human dihydrofolate reductase, orthorhombic (P21 21 21) crystal form | x-ray diffraction | A | — | — |
| 1PD8 | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine… | x-ray diffraction | A | — | — |
| 1PD8 | Analysis of three crystal structure determinations of a 5- methyl-6-N-methylanilino… | x-ray diffraction | A | — | — |
| 1PD9 | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine… | x-ray diffraction | A | — | — |
| 1PD9 | Analysis of three crystal structure determinations of a 5- methyl-6-N-methylanilino… | x-ray diffraction | A | — | — |
| 1PDB | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine… | x-ray diffraction | A | — | — |
| 1PDB | Analysis of three crystal structure determinations of a 5- methyl-6-N-methylanilino… | x-ray diffraction | A | — | — |
| 1S3U | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis… | x-ray diffraction | A | — | — |
| 1S3U | Structure determination of tetrahydroquinazoline antifolates in complex with human and pneumocystis… | x-ray diffraction | A | — | — |
| 1S3V | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis… | x-ray diffraction | A | — | — |
| 1S3V | Structure determination of tetrahydroquinazoline antifolates in complex with human and pneumocystis… | x-ray diffraction | A | — | — |
| 1S3W | Structure Determination of Tetrahydroquinazoline Antifoaltes in Complex with Human and Pneumocystis… | x-ray diffraction | A | — | — |
| 1S3W | Structure determination of tetrahydroquinazoline antifoaltes in complex with human and pneumocystis… | x-ray diffraction | A | — | — |
| 1U71 | Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and… | x-ray diffraction | A | — | — |
| 1U71 | Understanding the role of LEU22 variants in methotrexate resistance: comparison of wild-type and… | x-ray diffraction | A | — | — |
| 1U72 | Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and… | x-ray diffraction | A | — | — |
| 1U72 | Understanding the role of LEU22 variants in methotrexate resistance: comparison of wild-type and… | x-ray diffraction | A | — | — |
| 1YHO | Solution structure of human dihydrofolate reductase complexed with trimethoprim and nadph, 25… | solution nmr | A | — | — |
| 1YHO | Solution structure of human dihydrofolate reductase complexed with trimethoprim and NADPH, 25… | solution nmr | A | — | — |
| 2C2S | Human Dihydrofolate Reductase Complexed With NADPH and… | x-ray diffraction | A, B | — | — |
| 2C2S | Human dihydrofolate reductase complexed with NADPH and 2,4-diamino-5… | x-ray diffraction | A, B | — | — |
| 2C2T | Human Dihydrofolate Reductase Complexed With NADPH and… | x-ray diffraction | A, B | — | — |
| 2C2T | Human dihydrofolate reductase complexed with NADPH and 2,4-diamino-5… | x-ray diffraction | A, B | — | — |
| 2DHF | Crystal structures of recombinant human dihydrofolate reductase complexed with folate and… | x-ray diffraction | A, B | — | — |
| 2DHF | Crystal structures of recombinant human dihydrofolate reductase complexed with folate and… | x-ray diffraction | A, B | — | — |
| 2W3A | Human dihydrofolate reductase complexed with NADPH and trimethoprim | x-ray diffraction | A, B | — | — |
| 2W3A | Human dihydrofolate reductase complexed with NADPH and trimethoprim | x-ray diffraction | A, B | — | — |
| 2W3B | Human dihydrofolate reductase complexed with NADPH and a lipophilic antifolate selective for… | x-ray diffraction | A, B | — | — |
| 2W3B | Human dihydrofolate reductase complexed with NADPH and a lipophilic antifolate selective for… | x-ray diffraction | A, B | — | — |
| 2W3M | Human dihydrofolate reductase complexed with NADPH and folate | x-ray diffraction | A, B | — | — |
| 2W3M | Human dihydrofolate reductase complexed with NADPH and folate | x-ray diffraction | A, B | — | — |
| 3EIG | Crystal structure of a methotrexate-resistant mutant of human dihydrofolate reductase | x-ray diffraction | A | — | — |
| 3EIG | Crystal structure of a methotrexate-resistant mutant of human dihydrofolate reductase | x-ray diffraction | A | — | — |
108 records more on the page itself.
Ligands
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 15 records
- SO4 · Sulfate ion · in 15 records
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · in 10 records
- CL · Chloride ion · in 9 records
- G3V · N-(4-{[(2,4-diaminopteridin-6-yl) methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid · in 3 records
- 4RI · 6-hexyl-5-phenyl-pyrimidine-2,4-diamine · in 2 records
- GI6 · (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)-2-methylpropanamide · in 2 records
- HJI · (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid · in 2 records
- HXV · 6-ethyl-5-(4-{2-[2-(1H-tetrazol-5-yl) ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine · in 2 records
- I0E · (2S)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)-2-methylpropanoic acid · in 2 records
- I6J · (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid · in 2 records
- LG3 · Pyrimidine-2,4-diamine · in 2 records
- NPX · (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid · in 2 records
- PO4 · Phosphate ion · in 2 records
- 63W · 5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine · in 1 record
- 63Y · 5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine · in 1 record
- 65J · 7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine · in 1 record
- 65N · N~6~-methyl-N~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine · in 1 record
- 65O · 5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine · in 1 record
- 65Q · 5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine · in 1 record
- 9QO · 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine · in 1 record
- 9QR · 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine · in 1 record
- CA · Calcium ion · in 1 record
- FOL · Folic acid · in 1 record
- G6Y · 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid · in 1 record
- HZU · (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid · in 1 record
- WCQ · (3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one · in 1 record
Experiment against prediction
- 1BOZ chain A against the predicted model P00374: TM-score 0.99, RMSD 0.72 Å
- 1BOZ chain A against the predicted model P00374: TM-score 0.99, RMSD 0.72 Å
- 3NXT chain A against the predicted model P00374: TM-score 0.99, RMSD 0.75 Å
- 3NXT chain A against the predicted model P00374: TM-score 0.99, RMSD 0.75 Å
- 1S3W chain A against the predicted model P00374: TM-score 0.99, RMSD 0.72 Å
- 1S3W chain A against the predicted model P00374: TM-score 0.99, RMSD 0.72 Å
- 6VCJ chain D against the predicted model P00374: TM-score 0.99, RMSD 0.65 Å
- 2C2T chain A against the predicted model P00374: TM-score 0.99, RMSD 0.63 Å
- 2C2T chain A against the predicted model P00374: TM-score 0.99, RMSD 0.63 Å
- 2C2S chain A against the predicted model P00374: TM-score 0.99, RMSD 0.64 Å
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.