UniProt Q13451
Peptidyl-prolyl cis-trans isomerase FKBP5 (Q13451)
Peptidyl-prolyl cis-trans isomerase FKBP5 (UniProt Q13451), EC 5.2.1.8: 133 experimental structures and 1 predicted model on GenesisL1, 31 ligands bound, 45 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q13451
- Protein
- Peptidyl-prolyl cis-trans isomerase FKBP5
- EC
- 5.2.1.8
- Experimental structures
- 133
- Predicted models
- 1
- Ligands
- 31
- Pockets
- 45 · 11 records with a druggable one
Structures
134 records of Q13451 in the MolNFT archive: 133 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1KT0 | Structure of the Large FKBP-like Protein, FKBP51, Involved in Steroid Receptor Complexes | x-ray diffraction | A | — | — |
| 1KT0 | Structure of the large fkbp-like protein, FKBP51, involved in steroid receptor complexes | x-ray diffraction | A | — | — |
| 3O5D | Crystal structure of a fragment of FKBP51 comprising the Fk1 and Fk2 domains | x-ray diffraction | A, B | — | — |
| 3O5D | Crystal structure of a fragment of FKBP51 comprising the FK1 and FK2 domains | x-ray diffraction | A, B | — | — |
| 3O5E | Fk1 domain of FKBP51, crystal form VI | x-ray diffraction | A | — | — |
| 3O5E | FK1 domain of FKBP51, crystal form VI | x-ray diffraction | A | — | — |
| 3O5F | Fk1 domain of FKBP51, crystal form VII | x-ray diffraction | A | — | — |
| 3O5F | FK1 domain of FKBP51, crystal form VII | x-ray diffraction | A | — | — |
| 3O5G | Fk1 domain of FKBP51, crystal form I | x-ray diffraction | A | — | — |
| 3O5G | FK1 domain of FKBP51, crystal form I | x-ray diffraction | A | — | — |
| 3O5I | Fk1 domain of FKBP51, crystal form II | x-ray diffraction | A, B | — | — |
| 3O5I | FK1 domain of FKBP51, crystal form II | x-ray diffraction | A, B | — | — |
| 3O5J | Fk1 domain of FKBP51, crystal form III | x-ray diffraction | A | — | — |
| 3O5J | FK1 domain of FKBP51, crystal form III | x-ray diffraction | A | — | — |
| 3O5K | Fk1 domain of FKBP51, crystal form VIII | x-ray diffraction | A, B, C, D | — | — |
| 3O5K | FK1 domain of FKBP51, crystal form VIII | x-ray diffraction | A, B, C, D | — | — |
| 3O5L | Fk1 domain mutant A19T of FKBP51, crystal form I | x-ray diffraction | A | — | — |
| 3O5L | FK1 domain mutant A19T of FKBP51, crystal form I | x-ray diffraction | A | — | — |
| 3O5M | Fk1 domain mutant A19T of FKBP51, crystal form II | x-ray diffraction | A, B | — | — |
| 3O5M | FK1 domain mutant A19T of FKBP51, crystal form II | x-ray diffraction | A, B | — | — |
| 3O5O | Fk1 domain mutant A19T of FKBP51, crystal form III | x-ray diffraction | A | — | — |
| 3O5O | FK1 domain mutant A19T of FKBP51, crystal form III | x-ray diffraction | A | — | — |
| 3O5P | Fk1 domain mutant A19T of FKBP51, crystal form IV | x-ray diffraction | A | — | — |
| 3O5P | FK1 domain mutant A19T of FKBP51, crystal form IV | x-ray diffraction | A | — | — |
| 3O5Q | Fk1 domain mutant A19T of FKBP51, crystal form IV, in presence of DMSO | x-ray diffraction | A | — | — |
| 3O5Q | FK1 domain mutant A19T of FKBP51, crystal form IV, in presence of dmso | x-ray diffraction | A | — | — |
| 3O5R | Complex of Fk506 with the Fk1 domain mutant A19T of FKBP51 | x-ray diffraction | A | — | — |
| 3O5R | Complex of FK506 with the FK1 domain mutant A19T of FKBP51 | x-ray diffraction | A | — | — |
| 4DRH | Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR at low… | x-ray diffraction | A, D | — | — |
| 4DRH | Co-crystal structure of the ppiase domain of FKBP51, rapamycin and the frb fragment of mtor at low… | x-ray diffraction | A, D | — | — |
| 4DRI | Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR | x-ray diffraction | A | — | — |
| 4DRI | Co-crystal structure of the ppiase domain of FKBP51, rapamycin and the frb fragment of mtor | x-ray diffraction | A | — | — |
| 4DRK | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH… | x-ray diffraction | A, B | — | — |
| 4DRK | Evaluation of synthetic FK506 analogs as ligands for FKBP51 and FKBP52: complex of FKBP51 with… | x-ray diffraction | A, B | — | — |
| 4DRM | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH… | x-ray diffraction | A | — | — |
| 4DRM | Evaluation of synthetic FK506 analogs as ligands for FKBP51 and FKBP52: complex of FKBP51 with… | x-ray diffraction | A | — | — |
| 4DRN | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH… | x-ray diffraction | A | — | — |
| 4DRN | Evaluation of synthetic FK506 analogs as ligands for FKBP51 and FKBP52: complex of FKBP51 with… | x-ray diffraction | A | — | — |
| 4DRO | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH… | x-ray diffraction | A | — | — |
| 4DRO | Evaluation of synthetic FK506 analogs as ligands for FKBP51 and FKBP52: complex of FKBP51 with… | x-ray diffraction | A | — | — |
| 4DRP | Evaluation of Synthetic FK506 Analogs as Ligands for the FK506-Binding Proteins 51 and 52: Complex… | x-ray diffraction | A | — | — |
| 4DRP | Evaluation of synthetic FK506 analogs as ligands for the FK506-binding proteins 51 and 52: complex… | x-ray diffraction | A | — | — |
| 4DRQ | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex… | x-ray diffraction | A | — | — |
| 4DRQ | Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52: complex… | x-ray diffraction | A | — | — |
| 4JFI | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational… | x-ray diffraction | A | — | — |
| 4JFI | Increasing the efficiency efficiency of ligands for the FK506-binding protein 51 by conformational… | x-ray diffraction | A | — | — |
| 4JFJ | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational… | x-ray diffraction | A | — | — |
| 4JFJ | Increasing the efficiency efficiency of ligands for the FK506-binding protein 51 by conformational… | x-ray diffraction | A | — | — |
| 4JFK | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational… | x-ray diffraction | A | — | — |
| 4JFK | Increasing the efficiency efficiency of ligands for the FK506-binding protein 51 by conformational… | x-ray diffraction | A | — | — |
| 4JFL | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational… | x-ray diffraction | A | — | — |
| 4JFL | Increasing the efficiency efficiency of ligands for the FK506-binding protein 51 by conformational… | x-ray diffraction | A | — | — |
| 4JFM | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational… | x-ray diffraction | A | — | — |
| 4JFM | Increasing the efficiency efficiency of ligands for the FK506-binding protein 51 by conformational… | x-ray diffraction | A | — | — |
| 4R0X | Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of… | x-ray diffraction | A | — | — |
| 4R0X | Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of… | x-ray diffraction | A | — | — |
| 4TW6 | The Fk1 domain of FKBP51 in complex with iFit1 | x-ray diffraction | A | — | — |
| 4TW6 | The FK1 domain of FKBP51 in complex with IFIT1 | x-ray diffraction | A | — | — |
| 4TW7 | The Fk1 domain of FKBP51 in complex with iFit4 | x-ray diffraction | A | — | — |
| 4TW7 | The FK1 domain of FKBP51 in complex with IFIT4 | x-ray diffraction | A | — | — |
74 records more on the page itself.
Ligands
- NA · Sodium ion · in 9 records
- CL · Chloride ion · in 6 records
- SO4 · Sulfate ion · in 3 records
- 4MZ · 4-methylimidazole · in 2 records
- GY1 · 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid · in 2 records
- NCA · Nicotinamide · in 2 records
- RQW · (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one · in 2 records
- RRZ · 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl) phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid · in 2 records
- UUI · (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one · in 2 records
- V1L · piperidin-2-one · in 2 records
- 37K · (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate · in 1 record
- 5BG · {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid · in 1 record
- 5BH · (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide · in 1 record
- A1H7A · (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate · in 1 record
- A1H7B · (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate · in 1 record
- A1H7C · (4-chloranyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate · in 1 record
- A1H7D · (1-propylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate · in 1 record
- A1H7F · (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate · in 1 record
- A1H7G · (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate · in 1 record
- A1H7U · (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate · in 1 record
- HRZ · 1~{H}-pyridin-2-one · in 1 record
- HYN · imidazolidine-2,4-dione · in 1 record
- IS8 · isothiocyanate · in 1 record
- L2Q · [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate · in 1 record
- R3E · (2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione · in 1 record
- T5H · 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione · in 1 record
- U8C · 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid · in 1 record
- UBK · (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone · in 1 record
- UCT · 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid · in 1 record
- XZW · [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[4-[[1-[3-[2-[[[(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propyl]-1,2,3-triazol-4-yl]methoxy]phenyl]propyl] (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate · in 1 record
Experiment against prediction
- 1KT0 chain A against the predicted model Q13451: TM-score 1.00, RMSD 0.49 Å
- 1KT0 chain A against the predicted model Q13451: TM-score 1.00, RMSD 0.49 Å
- 5NJX chain A against the predicted model Q13451: TM-score 0.99, RMSD 0.54 Å
- 5NJX chain A against the predicted model Q13451: TM-score 0.99, RMSD 0.54 Å
- 6TXX chain B against the predicted model Q13451: TM-score 0.99, RMSD 0.37 Å
- 6TXX chain B against the predicted model Q13451: TM-score 0.99, RMSD 0.37 Å
- 4DRK chain B against the predicted model Q13451: TM-score 0.99, RMSD 0.39 Å
- 4DRK chain B against the predicted model Q13451: TM-score 0.99, RMSD 0.39 Å
- 5OMP chain A against the predicted model Q13451: TM-score 0.99, RMSD 0.78 Å
- 9EU6 chain B against the predicted model Q13451: TM-score 0.99, RMSD 0.44 Å
Elsewhere
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