UniProt P62942
Peptidyl-prolyl cis-trans isomerase FKBP1A (P62942)
Peptidyl-prolyl cis-trans isomerase FKBP1A (UniProt P62942), EC 2.7.11.1, 5.2.1.8: 129 experimental structures and 1 predicted model on GenesisL1, 28 ligands bound, 83 pockets. Binding sites, druggability and experiment against…
- UniProt
- P62942
- Protein
- Peptidyl-prolyl cis-trans isomerase FKBP1A
- EC
- 2.7.11.1, 5.2.1.8
- Experimental structures
- 129
- Predicted models
- 1
- Ligands
- 28
- Pockets
- 83 · 16 records with a druggable one
Structures
130 records of P62942 in the MolNFT archive: 129 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1A7X | FKBP12-FK1012 complex | x-ray diffraction | A, B | — | — |
| 1A7X | FKBP12-FK1012 complex | x-ray diffraction | A, B | — | — |
| 1B6C | Crystal structure of the cytoplasmic domain of the type I TGF-beta receptor in complex with FKBP12 | x-ray diffraction | A, C, E, G | — | — |
| 1B6C | Crystal structure of the cytoplasmic domain of the type I TGF-beta receptor in complex with FKBP12 | x-ray diffraction | A, C, E, G | — | — |
| 1BKF | FK506 binding protein fkbp mutant R42K/H87V complex with immunosuppressant FK506 | x-ray diffraction | A | — | — |
| 1BKF | FK506 binding protein fkbp mutant R42K/H87V complex with immunosuppressant FK506 | x-ray diffraction | A | — | — |
| 1BL4 | Fkbp mutant F36V complexed with remodeled synthetic ligand | x-ray diffraction | A | — | — |
| 1BL4 | Fkbp mutant F36V complexed with remodeled synthetic ligand | x-ray diffraction | A | — | — |
| 1D6O | NATIVE FKBP | x-ray diffraction | A, B | — | — |
| 1D6O | NATIVE FKBP | x-ray diffraction | A, B | — | — |
| 1D7H | Fkbp complexed with dmso | x-ray diffraction | A, B | — | — |
| 1D7H | Fkbp complexed with dmso | x-ray diffraction | A, B | — | — |
| 1D7I | Fkbp complexed with methyl methylsulfinylmethyl sulfide (dss) | x-ray diffraction | A, B | — | — |
| 1D7I | Fkbp complexed with methyl methylsulfinylmethyl sulfide (dss) | x-ray diffraction | A, B | — | — |
| 1D7J | Fkbp complexed with 4-hydroxy-2-butanone | x-ray diffraction | A, B | — | — |
| 1D7J | Fkbp complexed with 4-hydroxy-2-butanone | x-ray diffraction | A, B | — | — |
| 1EYM | FK506 binding protein mutant, homodimeric complex | x-ray diffraction | A, B | — | — |
| 1EYM | FK506 binding protein mutant, homodimeric complex | x-ray diffraction | A, B | — | — |
| 1F40 | Solution structure of FKBP12 complexed with gpi-1046, a neurotrophic ligand | solution nmr | A | — | — |
| 1F40 | Solution structure of FKBP12 complexed with gpi-1046, a neurotrophic ligand | solution nmr | A | — | — |
| 1FAP | The structure of the immunophilin-immunosuppressant FKBP12-rapamycin complex interacting with human… | x-ray diffraction | A | — | — |
| 1FAP | The structure of the immunophilin-immunosuppressant FKBP12- rapamycin complex interacting with… | x-ray diffraction | A | — | — |
| 1FKB | Atomic structure of the rapamycin human immunophilin fkbp-12 complex | x-ray diffraction | A | — | — |
| 1FKB | Atomic structure of the rapamycin human immunophilin fkbp- 12 complex | x-ray diffraction | A | — | — |
| 1FKD | Fk-506 binding protein: three-dimensional structure of the complex with the antagonist L-685,818 | x-ray diffraction | A | — | — |
| 1FKD | Fk-506 binding protein: three-dimensional structure of the complex with the antagonist L-685,818 | x-ray diffraction | A | — | — |
| 1FKF | Atomic structure of fkbp-FK506, an immunophilin-immunosuppressant complex | x-ray diffraction | A | — | — |
| 1FKF | Atomic structure of fkbp-FK506, an immunophilin-immunosuppressant complex | x-ray diffraction | A | — | — |
| 1FKG | Design, synthesis, and kinetic evaluation of high-affinity fkbp ligands, and the X-ray crystal… | x-ray diffraction | A | — | — |
| 1FKG | Design, synthesis, and kinetic evaluation of high-affinity fkbp ligands, and the X-ray crystal… | x-ray diffraction | A | — | — |
| 1FKH | Design, synthesis, and kinetic evaluation of high-affinity fkbp ligands, and the X-ray crystal… | x-ray diffraction | A | — | — |
| 1FKH | Design, synthesis, and kinetic evaluation of high-affinity fkbp ligands, and the X-ray crystal… | x-ray diffraction | A | — | — |
| 1FKI | Design, synthesis, and kinetic evaluation of high-affinity fkbp ligands, and the X-ray crystal… | x-ray diffraction | A, B | — | — |
| 1FKI | Design, synthesis, and kinetic evaluation of high-affinity fkbp ligands, and the X-ray crystal… | x-ray diffraction | A, B | — | — |
| 1FKJ | Atomic structure of FKBP12-FK506, an immunophilin immunosuppressant complex | x-ray diffraction | A | — | — |
| 1FKJ | Atomic structure of FKBP12-FK506, an immunophilin immunosuppressant complex | x-ray diffraction | A | — | — |
| 1FKR | Solution structure of fkbp, a rotamase enzyme and receptor for FK506 and rapamycin | solution nmr | A | — | — |
| 1FKR | Solution structure of fkbp, a rotamase enzyme and receptor for FK506 and rapamycin | solution nmr | A | — | — |
| 1FKS | Solution structure of fkbp, a rotamase enzyme and receptor for FK506 and rapamycin | solution nmr | A | — | — |
| 1FKS | Solution structure of fkbp, a rotamase enzyme and receptor for FK506 and rapamycin | solution nmr | A | — | — |
| 1FKT | Solution structure of fkbp, a rotamase enzyme and receptor for FK506 and rapamycin | solution nmr | A | — | — |
| 1FKT | Solution structure of fkbp, a rotamase enzyme and receptor for FK506 and rapamycin | solution nmr | A | — | — |
| 1J4H | crystal structure analysis of the FKBP12 complexed with 000107 small molecule | x-ray diffraction | A | — | — |
| 1J4H | Crystal structure analysis of the FKBP12 complexed with 000107 small molecule | x-ray diffraction | A | — | — |
| 1J4I | crystal structure analysis of the FKBP12 complexed with 000308 small molecule | x-ray diffraction | A | — | — |
| 1J4I | Crystal structure analysis of the FKBP12 complexed with 000308 small molecule | x-ray diffraction | A | — | — |
| 1J4R | FK506 binding protein complexed with fkb-001 | x-ray diffraction | A, B, D | — | — |
| 1J4R | FK506 binding protein complexed with fkb-001 | x-ray diffraction | A, B, D | — | — |
| 1NSG | The structure of the immunophilin-immunosuppressant FKBP12-rapamycin complex interacting with human… | x-ray diffraction | A | — | — |
| 1NSG | The structure of the immunophilin-immunosuppressant FKBP12-rapamycin complex interacting with human… | x-ray diffraction | A | — | — |
| 1QPF | FK506 binding protein (12 kda, human) complex with L-709,858 | x-ray diffraction | A, D | — | — |
| 1QPF | FK506 binding protein (12 kda, human) complex with L-709,858 | x-ray diffraction | A, D | — | — |
| 1QPL | FK506 binding protein (12 kda, human) complex with L-707,587 | x-ray diffraction | A, C | — | — |
| 1QPL | FK506 binding protein (12 kda, human) complex with L-707,587 | x-ray diffraction | A, C | — | — |
| 1TCO | Ternary complex of a calcineurin a fragment, calcineurin B, FKBP12 and the immunosuppressant drug… | x-ray diffraction | C | — | — |
| 1TCO | Ternary complex of a calcineurin a fragment, calcineurin B, FKBP12 and the immunosuppressant drug… | x-ray diffraction | C | — | — |
| 2DG3 | Wildtype FK506-binding protein complexed with Rapamycin | x-ray diffraction | A | — | — |
| 2DG3 | Wildtype FK506-binding protein complexed with rapamycin | x-ray diffraction | A | — | — |
| 2DG4 | FK506-binding protein mutant WF59 complexed with Rapamycin | x-ray diffraction | A | — | — |
| 2DG4 | FK506-binding protein mutant WF59 complexed with rapamycin | x-ray diffraction | A | — | — |
70 records more on the page itself.
Ligands
- CD · Cadmium ion · in 5 records
- CL · Chloride ion · in 5 records
- RAP · Rapamycin immunosuppressant drug · in 4 records
- SO4 · Sulfate ion · in 4 records
- NA · Sodium ion · in 3 records
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 3 records
- 60Z · (3r,4e,7e,10r,11s,12r,13s,16r,17r,24as)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24A-tetradecahydro-3H-13,17-epoxypyrido[2,1-C][1, 4]oxazacyclohenicosine-1,18,19(21H)-trione · in 2 records
- GLU · Glutamic acid · in 2 records
- MG · Magnesium ion · in 2 records
- OOZ · (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S}, 23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1, 14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone · in 2 records
- R27 · N'-[(3s,4r,5s,8r,9e,12s,14s,15r,16s,18r,19r,26as)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4, 10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23, 24,25,26,26A-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide · in 2 records
- Z99 · 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine · in 2 records
- 0AN · (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one · in 1 record
- 818 · 18-hydroxyascomycin · in 1 record
- CA · Calcium ion · in 1 record
- CLR · Cholesterol · in 1 record
- FK5 · 8-deethyl-8-[but-3-enyl]-ascomycin · in 1 record
- GLC · alpha-D-glucopyranose · in 1 record
- LWR · (3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone · in 1 record
- OP5 · (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S}, 23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1, 14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3, 10,16-tetrone · in 1 record
- OP8 · (1ar,3r,5s,6r,7s,9r,10r,17as,20s,21r,22s,25r,25ar)-25-ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1A,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1ah,14h)-tetrone · in 1 record
- UQI · (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 1 record
- USV · (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one · in 1 record
- UT6 · (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one · in 1 record
- 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 1 record
- XYU · (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone · in 1 record
- XZ3 · (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone · in 1 record
- ZN · Zinc ion · in 1 record
Experiment against prediction
- 1B6C chain A against the predicted model P62942: TM-score 0.99, RMSD 0.29 Å
- 1B6C chain A against the predicted model P62942: TM-score 0.99, RMSD 0.29 Å
- 1D6O chain A against the predicted model P62942: TM-score 0.99, RMSD 0.32 Å
- 1D6O chain A against the predicted model P62942: TM-score 0.99, RMSD 0.32 Å
- 1D7J chain A against the predicted model P62942: TM-score 0.99, RMSD 0.33 Å
- 1D7J chain A against the predicted model P62942: TM-score 0.99, RMSD 0.33 Å
- 1D7J chain B against the predicted model P62942: TM-score 0.99, RMSD 0.34 Å
- 1D7J chain B against the predicted model P62942: TM-score 0.99, RMSD 0.34 Å
- 1D6O chain B against the predicted model P62942: TM-score 0.99, RMSD 0.34 Å
- 1D6O chain B against the predicted model P62942: TM-score 0.99, RMSD 0.34 Å
Elsewhere
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