UniProt P42330
Aldo-keto reductase family 1 member C3 (P42330)
Aldo-keto reductase family 1 member C3 (UniProt P42330), EC 1.1.1.-, 1.1.1.188: 94 experimental structures and 1 predicted model on GenesisL1, 14 ligands bound, 24 pockets. Binding sites, druggability and experiment against…
- UniProt
- P42330
- Protein
- Aldo-keto reductase family 1 member C3
- EC
- 1.1.1.-, 1.1.1.188, 1.1.1.210, 1.1.1.239, 1.1.1.357, 1.1.1.53, 1.1.1.62, 1.1.1.64
- Experimental structures
- 94
- Predicted models
- 1
- Ligands
- 14
- Pockets
- 24 · 4 records with a druggable one
Structures
95 records of P42330 in the MolNFT archive: 94 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1RY0 | Structure of prostaglandin F synthase with prostaglandin D2 | x-ray diffraction | A, B | — | — |
| 1RY0 | Structure of prostaglandin F synthase with prostaglandin D2 | x-ray diffraction | A, B | — | — |
| 1RY8 | Prostaglandin F synthase complexed with NADPH and rutin | x-ray diffraction | A, B | — | — |
| 1RY8 | Prostaglandin F synthase complexed with NADPH and rutin | x-ray diffraction | A, B | — | — |
| 1S1P | Crystal structures of prostaglandin D2 11-ketoreductase (AKR1C3) in complex with the non-steroidal… | x-ray diffraction | A | — | — |
| 1S1P | Crystal structures of prostaglandin D2 11-ketoreductase (AKR1C3) in complex with the non-steroidal… | x-ray diffraction | A | — | — |
| 1S1R | Crystal structures of prostaglandin D2 11-ketoreductase (AKR1C3) in complex with the non-steroidal… | x-ray diffraction | A | — | — |
| 1S1R | Crystal structures of prostaglandin D2 11-ketoreductase (AKR1C3) in complex with the non-steroidal… | x-ray diffraction | A | — | — |
| 1S2A | Crystal structures of prostaglandin D2 11-ketoreductase in complex with the non-steroidal… | x-ray diffraction | A | — | — |
| 1S2A | Crystal structures of prostaglandin D2 11-ketoreductase in complex with the non-steroidal… | x-ray diffraction | A | — | — |
| 1S2C | Crystal structures of prostaglandin D2 11-ketoreductase in complex with the non-steroidal… | x-ray diffraction | A | — | — |
| 1S2C | Crystal structures of prostaglandin D2 11-ketoreductase in complex with the non-steroidal… | x-ray diffraction | A | — | — |
| 1XF0 | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) complexed with… | x-ray diffraction | A | — | — |
| 1XF0 | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 (AKR1C3) complexed with… | x-ray diffraction | A | — | — |
| 1ZQ5 | Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with… | x-ray diffraction | A | — | — |
| 1ZQ5 | Crystal structure of human androgenic 17BETA-hydroxysteroid dehydrogenase type 5 in complexed with… | x-ray diffraction | A | — | — |
| 2F38 | Crystal structure of prostaglandin F synathase containing bimatoprost | x-ray diffraction | A | — | — |
| 2F38 | Crystal structure of prostaglandin F synathase containing bimatoprost | x-ray diffraction | A | — | — |
| 2FGB | Crystal structure of human 17bet a-hydroxysteroid dehydrogenase type 5 in complexes with PEG and… | x-ray diffraction | A | — | — |
| 2FGB | Crystal structure of human 17BET a-hydroxysteroid dehydrogenase type 5 in complexes with peg and… | x-ray diffraction | A | — | — |
| 3R43 | AKR1C3 complexed with mefenamic acid | x-ray diffraction | A | — | — |
| 3R43 | AKR1C3 complexed with mefenamic acid | x-ray diffraction | A | — | — |
| 3R58 | AKR1C3 complex with naproxen | x-ray diffraction | A | — | — |
| 3R58 | AKR1C3 complex with naproxen | x-ray diffraction | A | — | — |
| 3R6I | AKR1C3 complex with meclofenamic acid | x-ray diffraction | A | — | — |
| 3R6I | AKR1C3 complex with meclofenamic acid | x-ray diffraction | A | — | — |
| 3R7M | AKR1C3 complex with sulindac | x-ray diffraction | A | — | — |
| 3R7M | AKR1C3 complex with sulindac | x-ray diffraction | A | — | — |
| 3R8G | AKR1C3 complex with ibuprofen | x-ray diffraction | A | — | — |
| 3R8G | AKR1C3 complex with ibuprofen | x-ray diffraction | A | — | — |
| 3R8H | AKR1C3 complex with zomepirac | x-ray diffraction | A | — | — |
| 3R8H | AKR1C3 complex with zomepirac | x-ray diffraction | A | — | — |
| 3R94 | AKR1C3 complex with flurbiprofen | x-ray diffraction | A | — | — |
| 3R94 | AKR1C3 complex with flurbiprofen | x-ray diffraction | A | — | — |
| 3UFY | AKR1C3 complex with R-naproxen | x-ray diffraction | A | — | — |
| 3UFY | AKR1C3 complex with R-naproxen | x-ray diffraction | A | — | — |
| 3UG8 | AKR1C3 complex with indomethacin at pH 7.5 | x-ray diffraction | A | — | — |
| 3UG8 | AKR1C3 complex with indomethacin at pH 7.5 | x-ray diffraction | A | — | — |
| 3UGR | AKR1C3 complex with indomethacin at pH 6.8 | x-ray diffraction | A | — | — |
| 3UGR | AKR1C3 complex with indomethacin at pH 6.8 | x-ray diffraction | A | — | — |
| 3UWE | AKR1C3 complexed with 3-phenoxybenzoic acid | x-ray diffraction | A | — | — |
| 3UWE | AKR1C3 complexed with 3-phenoxybenzoic acid | x-ray diffraction | A | — | — |
| 4DBS | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with… | x-ray diffraction | A, B | — | — |
| 4DBS | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with… | x-ray diffraction | A, B | — | — |
| 4DBU | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with… | x-ray diffraction | A, B | — | — |
| 4DBU | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with… | x-ray diffraction | A, B | — | — |
| 4DBW | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with… | x-ray diffraction | A, B | — | — |
| 4DBW | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with… | x-ray diffraction | A, B | — | — |
| 4DZ5 | W227F active site mutant of AKR1C3 | x-ray diffraction | A | — | — |
| 4DZ5 | W227F active site mutant of AKR1C3 | x-ray diffraction | A | — | — |
| 4FA3 | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A | — | — |
| 4FA3 | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A | — | — |
| 4FAL | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A | — | — |
| 4FAL | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A | — | — |
| 4FAM | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A, B | — | — |
| 4FAM | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A, B | — | — |
| 4H7C | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A | — | — |
| 4H7C | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A | — | — |
| 4HMN | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A | — | — |
| 4HMN | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 in complex with… | x-ray diffraction | A | — | — |
35 records more on the page itself.
Ligands
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 14 records
- FFW · 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one · in 2 records
- 4ZI · 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide · in 1 record
- 65D · octyl 3,4,5-trihydroxybenzoate · in 1 record
- 9S0 · (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile · in 1 record
- CJ2 · 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide · in 1 record
- CL · Chloride ion · in 1 record
- CVN · 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one · in 1 record
- DFV · 7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one · in 1 record
- FJR · 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide · in 1 record
- FJU · 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide · in 1 record
- QAP · 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate · in 1 record
- WDV · 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol · in 1 record
- YMC · 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol · in 1 record
Experiment against prediction
- 3R8G chain A against the predicted model P42330: TM-score 1.00, RMSD 0.32 Å
- 3R8G chain A against the predicted model P42330: TM-score 1.00, RMSD 0.32 Å
- 3UFY chain A against the predicted model P42330: TM-score 1.00, RMSD 0.32 Å
- 3UFY chain A against the predicted model P42330: TM-score 1.00, RMSD 0.32 Å
- 3UG8 chain A against the predicted model P42330: TM-score 1.00, RMSD 0.32 Å
- 3UG8 chain A against the predicted model P42330: TM-score 1.00, RMSD 0.32 Å
- 3UWE chain A against the predicted model P42330: TM-score 1.00, RMSD 0.33 Å
- 3UWE chain A against the predicted model P42330: TM-score 1.00, RMSD 0.33 Å
- 3R8H chain A against the predicted model P42330: TM-score 1.00, RMSD 0.33 Å
- 3R8H chain A against the predicted model P42330: TM-score 1.00, RMSD 0.33 Å
Elsewhere
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