UniProt Q9BPX1
17-beta-hydroxysteroid dehydrogenase 14 (Q9BPX1)
17-beta-hydroxysteroid dehydrogenase 14 (UniProt Q9BPX1), EC 1.1.1.-: 51 experimental structures and 1 predicted model on GenesisL1, 25 ligands bound, 6 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9BPX1
- Protein
- 17-beta-hydroxysteroid dehydrogenase 14
- EC
- 1.1.1.-
- Experimental structures
- 51
- Predicted models
- 1
- Ligands
- 25
- Pockets
- 6 · 6 records with a druggable one
Structures
52 records of Q9BPX1 in the MolNFT archive: 51 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1YDE | Crystal Structure of Human Retinal Short-Chain Dehydrogenase/Reductase 3 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P | — | — |
| 1YDE | Crystal structure of human retinal short-chain DEHYDROGENASE/REDUCTASE 3 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P | — | — |
| 5EN4 | Complex of 17-beta-hydroxysteroid dehydrogenase type 14 with inhibitor. | x-ray diffraction | A | NAD, 5Q6, NA | — |
| 5EN4 | Complex of 17-beta-hydroxysteroid dehydrogenase type 14 with inhibitor. | x-ray diffraction | A | — | — |
| 5HS6 | Human 17beta-hydroxysteroid dehydrogenase type 14 in complex with Estrone | x-ray diffraction | A | NAD, J3Z, NA | — |
| 5HS6 | Human 17BETA-hydroxysteroid dehydrogenase type 14 in complex with estrone | x-ray diffraction | A | — | — |
| 5ICM | 17beta-hydroxysteroid dehydrogenase type 14 in complex with a non-steroidal inhibitor | x-ray diffraction | A | NAD, NA, F45, GLC | — |
| 5ICM | 17BETA-hydroxysteroid dehydrogenase type 14 in complex with a non- steroidal inhibitor | x-ray diffraction | A | — | — |
| 5ICS | Crystal structure of 17BETA-hydroxysteroid dehydrogenase type 14 apoenzyme. | x-ray diffraction | A, C, D, F | — | — |
| 5JS6 | Crystal structure of 17BETA-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD. | x-ray diffraction | A | — | — |
| 5JSF | Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 S205 variant in complex with NAD. | x-ray diffraction | A | NAD, NA, CL | — |
| 5JSF | Crystal structure of 17BETA-hydroxysteroid dehydrogenase 14 S205 variant in complex with NAD. | x-ray diffraction | A | — | — |
| 5L7T | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | x-ray diffraction | A | NAD, NA, 6QJ | — |
| 5L7T | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | x-ray diffraction | A | NAD, NA, 6QJ | — |
| 5L7W | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | x-ray diffraction | A | NAD, NA, 6QU, BGC | — |
| 5L7W | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | x-ray diffraction | A | NAD, NA, 6QU, BGC | — |
| 5L7Y | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | x-ray diffraction | A | NAD, NA, 6QO | — |
| 5L7Y | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | x-ray diffraction | A | NAD, NA, 6QO | — |
| 5O42 | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… | x-ray diffraction | A | NAD, NA, BGC, 9JW | — |
| 5O42 | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… | x-ray diffraction | A | NAD, NA, BGC, 9JW | — |
| 5O43 | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… | x-ray diffraction | A | NA, NAD, BGC, 9JQ | 1 (best 0.76) |
| 5O43 | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… | x-ray diffraction | A | NA, NAD, BGC, 9JQ | — |
| 5O6O | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… | x-ray diffraction | A | NAD, NA, BGC, 9MB | — |
| 5O6O | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… | x-ray diffraction | A | NAD, NA, BGC, 9MB | — |
| 5O6X | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based… | x-ray diffraction | A | NAD, NA, BGC, 9MK | — |
| 5O6Z | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based… | x-ray diffraction | A | NAD, NA, BGC, 9ME | — |
| 5O6Z | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based… | x-ray diffraction | A | NAD, NA, BGC, 9ME | — |
| 5O72 | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based… | x-ray diffraction | A | NA, NAD, 9MH | 1 (best 0.77) |
| 5O72 | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based… | x-ray diffraction | A | NA, NAD, 9MH | — |
| 5O7C | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based… | x-ray diffraction | A | NAD, NA, BGC, 9N2 | — |
| 6EMM | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with salicylic acid | x-ray diffraction | A | NAD, SAL | — |
| 6FFB | 17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a nonsteroidal… | x-ray diffraction | A | NAD, NA, BGC, F45 | 1 (best 0.75) |
| 6FFB | 17BETA-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a nonsteroidal… | x-ray diffraction | A | NAD, NA, BGC, F45 | — |
| 6G4L | 17BETA-hydroxysteroid dehydrogenase type 14 mutant Y253A in complex with a non-steroidal inhibitor | x-ray diffraction | A | NAD, NA, BGC, F45 | — |
| 6GBT | 17BETA-hydroxysteroid dehydrogenase type 14 mutant Y253A in complex with a non-steroidal inhibitor | x-ray diffraction | A | NAD, F45, NA | — |
| 6GTB | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB211 | x-ray diffraction | A | NAD, NA, BGC, FBK | — |
| 6GTU | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with fragment J6 | x-ray diffraction | A | NAD, 45N, CL | — |
| 6GTU | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with fragment J6 | x-ray diffraction | A | NAD, 45N, CL | — |
| 6H0M | 17beta-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with Nicotinamide Adenine… | x-ray diffraction | A | NA, NAD, BGC | — |
| 6H0M | 17BETA-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with nicotinamide adenine… | x-ray diffraction | A | NA, NAD, BGC | — |
| 6HNO | 17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant H93A | x-ray diffraction | A | NAD | — |
| 6HNO | 17BETA-hydroxysteroid dehydrogenase 14 variant S205 - mutant H93A | x-ray diffraction | A | NAD | — |
| 6QCK | 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB262 | x-ray diffraction | A | HWK, NAD, NA, BGC | — |
| 6ZDE | 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with pentafluorophenol | x-ray diffraction | A | QFZ, NAD, NA | 1 (best 0.77) |
| 6ZDE | 17BETA-hydroxysteroid dehydrogenase type 14 variant S205 in complex with pentafluorophenol | x-ray diffraction | A | QFZ, NAD, NA | — |
| 6ZDI | 17BETA-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 2-fluoro-5-nitrophenol | x-ray diffraction | A | NAD, NA, QFT | — |
| 6ZR6 | 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with non-steroidal inhibitor | x-ray diffraction | A | BGC, NAD, NA, F45 | 1 (best 0.75) |
| 6ZR6 | 17BETA-hydroxysteroid dehydrogenase type 14 variant S205 in complex with non-steroidal inhibitor | x-ray diffraction | A | BGC, NAD, NA, F45 | — |
| 6ZRA | 17BETA-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 2-fluoro-5-nitrophenol | x-ray diffraction | A | QFT, BGC, NAD, NA | — |
| 6ZT2 | 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 3-chloro-2,6-difluorophenol | x-ray diffraction | A | BGC, NAD, QPK, NA | 1 (best 0.77) |
| 6ZT2 | 17BETA-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 3-chloro-2,6-difluorophenol | x-ray diffraction | A | BGC, NAD, QPK, NA | — |
| Q9BPX1 | AlphaFold monomer V2.0 prediction for 17-beta-hydroxysteroid dehydrogenase 14 (Q9BPX1) | predicted | A | — | — |
Ligands
- NAD · Nicotinamide-adenine-dinucleotide · in 43 records
- NA · Sodium ion · in 38 records
- BGC · beta-D-glucopyranose · in 24 records
- F45 · [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone · in 7 records
- CL · Chloride ion · in 3 records
- 45N · N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine · in 2 records
- 6QJ · (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone · in 2 records
- 6QO · (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone · in 2 records
- 6QU · [4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone · in 2 records
- 9JQ · 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol · in 2 records
- 9JW · 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl) ethenyl]pyridin-2-yl]phenol · in 2 records
- 9MB · 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol · in 2 records
- 9ME · (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone · in 2 records
- 9MH · 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl) carbonylquinolin-7-yl]ethanamide · in 2 records
- QFT · 2-fluoranyl-5-nitro-phenol · in 2 records
- QFZ · 2,3,4,5,6-pentakis(fluoranyl)phenol · in 2 records
- QPK · 3-chloranyl-2,6-bis(fluoranyl)phenol · in 2 records
- 5Q6 · [2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone · in 1 record
- 9MK · (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone · in 1 record
- 9N2 · 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile · in 1 record
- FBK · 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid · in 1 record
- GLC · alpha-D-glucopyranose · in 1 record
- HWK · 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid · in 1 record
- J3Z · (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one · in 1 record
- SAL · 2-hydroxybenzoic acid · in 1 record
Experiment against prediction
- 6ZDE chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.20 Å
- 6ZDE chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.20 Å
- 6ZT2 chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.21 Å
- 6ZT2 chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.21 Å
- 6ZDI chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.23 Å
- 5EN4 chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.29 Å
- 5EN4 chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.29 Å
- 6GBT chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.31 Å
- 5O72 chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.35 Å
- 5O72 chain A against the predicted model Q9BPX1: TM-score 1.00, RMSD 0.35 Å
Elsewhere
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