UniProt P52333
Tyrosine-protein kinase JAK3 (P52333)
Tyrosine-protein kinase JAK3 (UniProt P52333), EC 2.7.10.2: 64 experimental structures and 1 predicted model on GenesisL1, 28 ligands bound, 28 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P52333
- Protein
- Tyrosine-protein kinase JAK3
- EC
- 2.7.10.2
- Experimental structures
- 64
- Predicted models
- 1
- Ligands
- 28
- Pockets
- 28 · 5 records with a druggable one
Structures
65 records of P52333 in the MolNFT archive: 64 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1YVJ | Crystal structure of the Jak3 kinase domain in complex with a staurosporine analogue | x-ray diffraction | A | — | — |
| 1YVJ | Crystal structure of the JAK3 kinase domain in complex with a staurosporine analogue | x-ray diffraction | A | — | — |
| 3LXK | Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with… | x-ray diffraction | A | — | — |
| 3LXK | Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with… | x-ray diffraction | A | — | — |
| 3LXL | Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with… | x-ray diffraction | A | — | — |
| 3LXL | Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with… | x-ray diffraction | A | — | — |
| 3PJC | Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity… | x-ray diffraction | A | — | — |
| 3PJC | Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity… | x-ray diffraction | A | — | — |
| 3ZC6 | Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine… | x-ray diffraction | A, B, C, D | — | — |
| 3ZC6 | Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine… | x-ray diffraction | A, B, C, D | — | — |
| 3ZEP | Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 3ZEP | Crystal structure of JAK3 kinase domain in complex with a pyrrolopyrazine-2-phenyl ether inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 4HVD | JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4HVD | JAK3 kinase domain in complex with 2-cyclopropyl-5H-PYRROLO[2,3- B]PYRAZINE-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4HVG | JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4HVG | JAK3 kinase domain in complex with 2-cyclopropyl-5H-PYRROLO[2,3- B]PYRAZINE-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4HVH | JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4HVH | JAK3 kinase domain in complex with 2-cyclopropyl-5H-PYRROLO[2,3- B]PYRAZINE-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4HVI | JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4HVI | JAK3 kinase domain in complex with 2-cyclopropyl-5H-PYRROLO[2,3- B]PYRAZINE-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4I6Q | JAK3 kinase domain in complex with 2-Phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4I6Q | JAK3 kinase domain in complex with 2-phenoxy-5H-PYRROLO[2,3- B]PYRAZINE-7-carboxylic acid… | x-ray diffraction | A | — | — |
| 4QPS | Crystal structure of Jak3 complexed to N-[3-(6-Phenylamino-pyrazin-2-yl)-3H-benzoimidazol-5-yl]-acry… | x-ray diffraction | A, C | — | — |
| 4QPS | Crystal structure of JAK3 complexed to N-[3-(6-phenylamino-pyrazin-2… | x-ray diffraction | A, C | — | — |
| 4QT1 | JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2,3-b]pyraz… | x-ray diffraction | A | — | — |
| 4QT1 | JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3… | x-ray diffraction | A | — | — |
| 4RIO | Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor | x-ray diffraction | A | — | — |
| 4RIO | Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor | x-ray diffraction | A | — | — |
| 4V0G | JAK3 in complex with a covalent EGFR inhibitor | x-ray diffraction | A, B | — | — |
| 4V0G | JAK3 in complex with a covalent EGFR inhibitor | x-ray diffraction | A, B | — | — |
| 4Z16 | Crystal Structure of the Jak3 Kinase Domain Covalently Bound to… | x-ray diffraction | A, B, C, D | 4LH | 8 (best 0.72) |
| 4Z16 | Crystal structure of the JAK3 kinase domain covalently bound to N-(3… | x-ray diffraction | A, B, C, D | — | — |
| 5LWM | Crystal structure of JAK3 in complex with Compound 4 (FM381) | x-ray diffraction | A | 79T, PHU | — |
| 5LWM | Crystal structure of JAK3 in complex with compound 4 (FM381) | x-ray diffraction | A | 79T, PHU | — |
| 5LWN | Crystal structure of JAK3 in complex with compound 5 (FM409) | x-ray diffraction | A | PHU, 79R, 79S | — |
| 5TOZ | JAK3 with covalent inhibitor pf-06651600 | x-ray diffraction | A | 7H4, SO4 | — |
| 5TTS | Jak3 with covalent inhibitor 4 | x-ray diffraction | A | 7KU | 1 (best 0.71) |
| 5TTS | JAK3 with covalent inhibitor 4 | x-ray diffraction | A | 7KU | — |
| 5TTU | JAK3 with covalent inhibitor 7 | x-ray diffraction | A | 7KV, SO4 | — |
| 5TTV | Jak3 with covalent inhibitor 6 | x-ray diffraction | A | 7KX | — |
| 5TTV | JAK3 with covalent inhibitor 6 | x-ray diffraction | A | 7KX | — |
| 5VO6 | Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine inhibitor | x-ray diffraction | A | 9J4 | — |
| 5W86 | Crystal structure of JAK3 kinase domain with a 4,6-diaminonicotinamide inhibitor (compound number 7) | x-ray diffraction | A, B, C, D | 9YV | — |
| 5WFJ | The JAK3 kinase domain in complex with a covalent inhibitor | x-ray diffraction | A | 9Z4 | — |
| 5WFJ | The JAK3 kinase domain in complex with a covalent inhibitor | x-ray diffraction | A | 9Z4 | — |
| 6AAK | Crystal structure of JAK3 in complex with peficitinib | x-ray diffraction | A, B, C, D | 9T6 | — |
| 6DA4 | JAK3 with cyanamide CP10 | x-ray diffraction | A | G4V | — |
| 6DB3 | JAK3 with cyanamide CP23 | x-ray diffraction | A | G54 | — |
| 6DB4 | JAK3 with cyanamide CP34 | x-ray diffraction | A | G4Y | — |
| 6DUD | JAK3 with cyanamide CP12 | x-ray diffraction | A | HB4, SO4 | — |
| 6GL9 | Crystal structure of JAK3 in complex with Compound 10 (FM475) | x-ray diffraction | A, B | F3W, PHU | — |
| 6GL9 | Crystal structure of JAK3 in complex with compound 10 (FM475) | x-ray diffraction | A, B | F3W, PHU | — |
| 6GLA | Crystal structure of JAK3 in complex with Compound 11 (FM481) | x-ray diffraction | A, B | F4B, PHU | — |
| 6GLA | Crystal structure of JAK3 in complex with compound 11 (FM481) | x-ray diffraction | A, B | F4B, PHU | — |
| 6GLB | Crystal structure of JAK3 in complex with compound 20 (FM484) | x-ray diffraction | A, B | F48, PHU | — |
| 6HZV | Human JAK3 in complex with LASW959 protein in complex with ligand | x-ray diffraction | A, B, C, D | GYW | — |
| 6NY4 | Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor | x-ray diffraction | A | Z3A | 1 (best 0.70) |
| 6NY4 | Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor | x-ray diffraction | A | Z3A | — |
| 7APF | Crystal structure of JAK3 in complex with FM601 (compound 10A) | x-ray diffraction | A, B | RQZ, PHU | — |
| 7APG | Crystal structure of JAK3 in complex with FM587 (compound 9a) | x-ray diffraction | A, B, C, D | RQT, PHU | 16 (best 0.81) |
5 records more on the page itself.
Ligands
- PHU · 1-phenylurea · in 11 records
- SO4 · Sulfate ion · in 3 records
- 79T · 2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{N},~{N}-dimethyl-prop-2-enamide · in 2 records
- 7KU · 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl) amino]piperidin-1-yl}propan-1-one · in 2 records
- 7KX · N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide · in 2 records
- 9Z4 · 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide · in 2 records
- F3W · (~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile · in 2 records
- F4B · (~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile · in 2 records
- FHX · 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile · in 2 records
- RQT · ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl) phenyl]propanamide · in 2 records
- Z3A · 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide · in 2 records
- 4LH · N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide · in 1 record
- 79R · (~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S}, 2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide · in 1 record
- 79S · (2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S}, 2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide · in 1 record
- 7H4 · 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one · in 1 record
- 7KV · 1-[(3ar,7ar)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl) octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one · in 1 record
- 9J4 · 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide · in 1 record
- 9T6 · 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2, 3-b]pyridine-5-carboxamide · in 1 record
- 9YV · 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl) carbamoyl]phenyl}amino)pyridine-3-carboxamide · in 1 record
- CL · Chloride ion · in 1 record
- F48 · 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2, 6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile · in 1 record
- G4V · (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2, 3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine · in 1 record
- G4Y · N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2, 3-dihydro-1H-inden-1-yl]imidoformamide · in 1 record
- G54 · [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide · in 1 record
- GYW · 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile · in 1 record
- HB4 · N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide · in 1 record
- OV5 · 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide · in 1 record
- RQZ · 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide · in 1 record
Experiment against prediction
- 6HZV chain D against the predicted model P52333: TM-score 0.99, RMSD 0.75 Å
- 6HZV chain C against the predicted model P52333: TM-score 0.99, RMSD 0.79 Å
- 6HZV chain A against the predicted model P52333: TM-score 0.98, RMSD 0.84 Å
- 6HZV chain B against the predicted model P52333: TM-score 0.98, RMSD 0.89 Å
- 3ZC6 chain D against the predicted model P52333: TM-score 0.98, RMSD 0.89 Å
- 3ZC6 chain D against the predicted model P52333: TM-score 0.98, RMSD 0.89 Å
- 3ZEP chain D against the predicted model P52333: TM-score 0.98, RMSD 0.92 Å
- 3ZEP chain D against the predicted model P52333: TM-score 0.98, RMSD 0.92 Å
- 4Z16 chain D against the predicted model P52333: TM-score 0.98, RMSD 0.87 Å
- 6AAK chain C against the predicted model P52333: TM-score 0.98, RMSD 0.89 Å
Elsewhere
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