UniProt P0ABQ4
Dihydrofolate reductase (P0ABQ4)
Dihydrofolate reductase (UniProt P0ABQ4), EC 1.5.1.3: 178 experimental structures and 1 predicted model on GenesisL1, 17 ligands bound, 8 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P0ABQ4
- Protein
- Dihydrofolate reductase
- EC
- 1.5.1.3
- Experimental structures
- 178
- Predicted models
- 1
- Ligands
- 17
- Pockets
- 8 · 8 records with a druggable one
Structures
179 records of P0ABQ4 in the MolNFT archive: 178 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1DDR | Molecule: dihydrofolate reductase (E.C.1.5.1.3) complexed with methotrexate and urea | x-ray diffraction | A, B | — | — |
| 1DDR | Molecule: dihydrofolate reductase (E.C.1.5.1.3) complexed with methotrexate and urea | x-ray diffraction | A, B | — | — |
| 1DDS | Molecule: dihydrofolate reductase (E.C.1.5.1.3) complexed with methotrexate | x-ray diffraction | A, B | — | — |
| 1DDS | Molecule: dihydrofolate reductase (E.C.1.5.1.3) complexed with methotrexate | x-ray diffraction | A, B | — | — |
| 1DHI | Long-range structural effects in a second-site revertant of a mutant dihydrofolate reductase | x-ray diffraction | A, B | — | — |
| 1DHI | Long-range structural effects in a second-site revertant of a mutant dihydrofolate reductase | x-ray diffraction | A, B | — | — |
| 1DHJ | Long-range structural effects in a second-site revertant of a mutant dihydrofolate reductase | x-ray diffraction | A, B | — | — |
| 1DHJ | Long-range structural effects in a second-site revertant of a mutant dihydrofolate reductase | x-ray diffraction | A, B | — | — |
| 1DRA | Crystal structure of unliganded escherichia COLI dihydrofolate reductase. ligand-induced… | x-ray diffraction | A, B | — | — |
| 1DRA | Crystal structure of unliganded escherichia COLI dihydrofolate reductase. ligand-induced… | x-ray diffraction | A, B | — | — |
| 1DRB | Crystal structure of unliganded escherichia COLI dihydrofolate reductase. ligand-induced… | x-ray diffraction | A, B | — | — |
| 1DRB | Crystal structure of unliganded escherichia COLI dihydrofolate reductase. ligand-induced… | x-ray diffraction | A, B | — | — |
| 1DRE | Dihydrofolate reductase complexed with methotrexate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1DRE | Dihydrofolate reductase complexed with methotrexate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1DRH | Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with folate… | x-ray diffraction | A | — | — |
| 1DRH | Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with folate… | x-ray diffraction | A | — | — |
| 1DYH | Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with folate… | x-ray diffraction | A, B | — | — |
| 1DYH | Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with folate… | x-ray diffraction | A, B | — | — |
| 1DYI | Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with folate… | x-ray diffraction | A, B | — | — |
| 1DYI | Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with folate… | x-ray diffraction | A, B | — | — |
| 1DYJ | Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with folate… | x-ray diffraction | A, B | — | — |
| 1DYJ | Isomorphous crystal structures of escherichia COLI dihydrofolate reductase complexed with folate… | x-ray diffraction | A, B | — | — |
| 1JOL | The crystal structure of the binary complex between folinic acid (leucovorin) and E. COLI… | x-ray diffraction | A, B | — | — |
| 1JOL | The crystal structure of the binary complex between folinic acid (leucovorin) and E. COLI… | x-ray diffraction | A, B | — | — |
| 1JOM | The crystal structure of the binary complex between folinic acid (leucovorin) and E. COLI… | x-ray diffraction | A | — | — |
| 1JOM | The crystal structure of the binary complex between folinic acid (leucovorin) and E. COLI… | x-ray diffraction | A | — | — |
| 1RA1 | Dihydrofolate reductase complexed with nicotinamide adenine dinucleotide phosphate (reduced form) | x-ray diffraction | A | — | — |
| 1RA1 | Dihydrofolate reductase complexed with nicotinamide adenine dinucleotide phosphate (reduced form) | x-ray diffraction | A | — | — |
| 1RA2 | Dihydrofolate reductase complexed with folate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1RA2 | Dihydrofolate reductase complexed with folate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1RA3 | Dihydrofolate reductase complexed with methotrexate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1RA3 | Dihydrofolate reductase complexed with methotrexate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1RA8 | Dihydrofolate reductase complexed with folate and 2-monophosphoadenosine 5'-diphosphoribose | x-ray diffraction | A | — | — |
| 1RA8 | Dihydrofolate reductase complexed with folate and 2- monophosphoadenosine 5'-diphosphoribose | x-ray diffraction | A | — | — |
| 1RA9 | Dihydrofolate reductase complexed with nicotinamide adenine dinucleotide phosphate (oxidized form) | x-ray diffraction | A | — | — |
| 1RA9 | Dihydrofolate reductase complexed with nicotinamide adenine dinucleotide phosphate (oxidized form) | x-ray diffraction | A | — | — |
| 1RB2 | Dihydrofolate reductase complexed with folate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A, B | — | — |
| 1RB2 | Dihydrofolate reductase complexed with folate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A, B | — | — |
| 1RB3 | Dihydrofolate reductase complexed with methotrexate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A, B | — | — |
| 1RB3 | Dihydrofolate reductase complexed with methotrexate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A, B | — | — |
| 1RC4 | Dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and nicotinamide adenine… | x-ray diffraction | A | — | — |
| 1RC4 | Dihydrofolate reductase complexed with 5,10- dideazatetrahydrofolate and nicotinamide adenine… | x-ray diffraction | A | — | — |
| 1RD7 | Dihydrofolate reductase complexed with folate | x-ray diffraction | A, B | — | — |
| 1RD7 | Dihydrofolate reductase complexed with folate | x-ray diffraction | A, B | — | — |
| 1RE7 | Dihydrofolate reductase complexed with folate | x-ray diffraction | A, B | — | — |
| 1RE7 | Dihydrofolate reductase complexed with folate | x-ray diffraction | A, B | — | — |
| 1RF7 | Structure of dihydrofolate reductase complexed with dihydrofolate | x-ray diffraction | A | — | — |
| 1RF7 | Structure of dihydrofolate reductase complexed with dihydrofolate | x-ray diffraction | A | — | — |
| 1RG7 | Dihydrofolate reductase complexed with methotrexate | x-ray diffraction | A | — | — |
| 1RG7 | Dihydrofolate reductase complexed with methotrexate | x-ray diffraction | A | — | — |
| 1RH3 | Dihydrofolate reductase complexed with methotrexate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1RH3 | Dihydrofolate reductase complexed with methotrexate and nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1RX1 | Dihydrofolate reductase (E.C.1.5.1.3) complexed with nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1RX1 | Dihydrofolate reductase (E.C.1.5.1.3) complexed with nicotinamide adenine dinucleotide phosphate… | x-ray diffraction | A | — | — |
| 1RX2 | Dihydrofolate reductase (E.C.1.5.1.3) complexed with with folate and nicotinamide adenine… | x-ray diffraction | A | — | — |
| 1RX2 | Dihydrofolate reductase (E.C.1.5.1.3) complexed with with folate and nicotinamide adenine… | x-ray diffraction | A | — | — |
| 1RX3 | Dihydrofolate reductase (E.C.1.5.1.3) complexed with methotrexate and nicotinamide adenine… | x-ray diffraction | A | — | — |
| 1RX3 | Dihydrofolate reductase (E.C.1.5.1.3) complexed with methotrexate and nicotinamide adenine… | x-ray diffraction | A | — | — |
| 1RX4 | Dihydrofolate reductase (E.C.1.5.1.3) complexed with 5,10-dideazatetrahydrofolate and… | x-ray diffraction | A | — | — |
| 1RX4 | Dihydrofolate reductase (E.C.1.5.1.3) complexed with 5,10- dideazatetrahydrofolate and… | x-ray diffraction | A | — | — |
119 records more on the page itself.
Ligands
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 28 records
- MN · Manganese (II) ion · in 10 records
- CL · Chloride ion · in 9 records
- FOL · Folic acid · in 6 records
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · in 6 records
- TOP · Trimethoprim · in 6 records
- MG · Magnesium ion · in 5 records
- CA · Calcium ion · in 4 records
- NA · Sodium ion · in 4 records
- LG3 · Pyrimidine-2,4-diamine · in 3 records
- SO4 · Sulfate ion · in 3 records
- BFR · N-butyl-N'-(diaminomethylidene)guanidine · in 2 records
- D4C · 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1, 3-diamine · in 2 records
- PQD · 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine · in 2 records
- 8CV · N-(2-phenylethyl)imidodicarbonimidic diamide · in 1 record
- DHF · Dihydrofolic acid · in 1 record
- THG · (6S)-5,6,7,8-tetrahydrofolate · in 1 record
Experiment against prediction
- 4NX6 chain A against the predicted model P0ABQ4: TM-score 0.99, RMSD 0.31 Å
- 4NX6 chain A against the predicted model P0ABQ4: TM-score 0.99, RMSD 0.31 Å
- 4KJK chain A against the predicted model P0ABQ4: TM-score 0.99, RMSD 0.33 Å
- 4KJK chain A against the predicted model P0ABQ4: TM-score 0.99, RMSD 0.33 Å
- 3QL3 chain A against the predicted model P0ABQ4: TM-score 0.99, RMSD 0.34 Å
- 3QL3 chain A against the predicted model P0ABQ4: TM-score 0.99, RMSD 0.34 Å
- 4NX7 chain A against the predicted model P0ABQ4: TM-score 0.99, RMSD 0.34 Å
- 4NX7 chain A against the predicted model P0ABQ4: TM-score 0.99, RMSD 0.34 Å
- 5Z6J chain A against the predicted model P0ABQ4: TM-score 0.98, RMSD 0.34 Å
- 4KJJ chain A against the predicted model P0ABQ4: TM-score 0.99, RMSD 0.34 Å
Elsewhere
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