UniProt Q04828
Aldo-keto reductase family 1 member C1 (Q04828)
Aldo-keto reductase family 1 member C1 (UniProt Q04828), EC 1.1.1.-, 1.1.1.112: 15 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 6 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q04828
- Protein
- Aldo-keto reductase family 1 member C1
- EC
- 1.1.1.-, 1.1.1.112, 1.1.1.149, 1.1.1.209, 1.1.1.210, 1.1.1.357, 1.1.1.51, 1.1.1.53, 1.1.1.62, 1.3.1.20
- Experimental structures
- 15
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 6 · 2 records with a druggable one
Structures
16 records of Q04828 in the MolNFT archive: 15 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1MRQ | Crystal structure of human 20alpha-HSD in ternary complex with NADP and 20alpha-hydroxy-progesterone | x-ray diffraction | A | — | — |
| 1MRQ | Crystal structure of human 20ALPHA-hsd in ternary complex with NADP and 20ALPHA-hydroxy-progesterone | x-ray diffraction | A | — | — |
| 3C3U | Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid | x-ray diffraction | A | — | — |
| 3C3U | Crystal structure of AKR1C1 in complex with NADP and 3,5- dichlorosalicylic acid | x-ray diffraction | A | — | — |
| 3GUG | Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid | x-ray diffraction | A | — | — |
| 3GUG | Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5- dichlorosalicylic acid | x-ray diffraction | A | — | — |
| 3NTY | Crystal structure of AKR1C1 in complex with NADP and 5-Phenyl,3-chlorosalicylic acid | x-ray diffraction | A | — | — |
| 3NTY | Crystal structure of AKR1C1 in complex with NADP and 5-PHENYL,3- chlorosalicylic acid | x-ray diffraction | A | — | — |
| 4YVP | Crystal Structure of AKR1C1 complexed with glibenclamide | x-ray diffraction | A, B | — | — |
| 4YVP | Crystal structure of AKR1C1 complexed with glibenclamide | x-ray diffraction | A, B | — | — |
| 6A7A | AKR1C1 complexed with new inhibitor with novel scaffold | x-ray diffraction | A | NAP, 9S0 | 2 (best 0.77) |
| 6A7A | AKR1C1 complexed with new inhibitor with novel scaffold | x-ray diffraction | A | NAP, 9S0 | — |
| 6IJX | Crystal Structure of AKR1C1 complexed with meclofenamic acid | x-ray diffraction | A | NAP, JMS | — |
| 6IJX | Crystal structure of AKR1C1 complexed with meclofenamic acid | x-ray diffraction | A | NAP, JMS | — |
| 8JP2 | Crystal structure of AKR1C1 in complex with DFV | x-ray diffraction | A | NAP, DFV | 4 (best 0.76) |
| Q04828 | AlphaFold monomer V2.0 prediction for aldo-keto reductase family 1 member C1 (Q04828) | predicted | A | — | — |
Ligands
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 5 records
- 9S0 · (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile · in 2 records
- JMS · 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid · in 2 records
- DFV · 7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one · in 1 record
Experiment against prediction
- 4YVP chain B against the predicted model Q04828: TM-score 1.00, RMSD 0.35 Å
- 4YVP chain B against the predicted model Q04828: TM-score 1.00, RMSD 0.35 Å
- 6IJX chain A against the predicted model Q04828: TM-score 1.00, RMSD 0.35 Å
- 6IJX chain A against the predicted model Q04828: TM-score 1.00, RMSD 0.35 Å
- 3GUG chain A against the predicted model Q04828: TM-score 1.00, RMSD 0.35 Å
- 3GUG chain A against the predicted model Q04828: TM-score 1.00, RMSD 0.35 Å
- 6A7A chain A against the predicted model Q04828: TM-score 1.00, RMSD 0.39 Å
- 6A7A chain A against the predicted model Q04828: TM-score 1.00, RMSD 0.39 Å
- 3NTY chain A against the predicted model Q04828: TM-score 1.00, RMSD 0.41 Å
- 3NTY chain A against the predicted model Q04828: TM-score 1.00, RMSD 0.41 Å
Elsewhere
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