Tyrosine-protein kinase JAK3
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 812–1124 | Fragment：kinase domain Mutation：C1048S | G4Y N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea | Resolution 1.66 Å R-free 0.216 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 6DB4 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1YVJ Crystal structure of the Jak3 kinase domain in complex with a staurosporine analogue Deposited 2005-02-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
814–1103（290 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DTV (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL × 2 4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；malonate, glycerol, pipes, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.55 Å R-free 0.254 |
| 3LXK Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6 Deposited 2010-02-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
806–1124（319 aa）
Fragment：Kinase Domain
|
Mutation：C1048S | MI1 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG-3350, 0.2 M Ammonium Sulfate, 0.02% Phenylurea, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.265 |
| 3LXL Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6 Deposited 2010-02-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
806–1124（319 aa）
Fragment：Kinase Domain
|
Mutation：C1048S | IZA 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG-3350, 0.2 M Ammonium Sulfate, 0.02% phenylurea, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.74 Å R-free 0.227 |
| 3PJC Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity within the Janus kinase family Deposited 2010-11-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1124（313 aa）
Fragment：UNP residues 812-1124
|
Not recorded | PJC 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；CO-CRYSTALLIZATION WITH COMPOUND NVP-BLZ295 ADDED BEFORE CONCENTRATION OF THE PROTEIN AT 3 FOLD MOLAR EXCESS. 8% PEG 4000, 0.05 M MES PH 6.5, 0.01 M MGCL2. PROTEIN AT 10.0 MG/ML. CRYOPROTECTION: 30% GLYCEROL + WELL SOLUTION, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.215 |
| 3ZC6 Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor Deposited 2012-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
813–1100（288 aa）
Fragment：KINASE DOMAIN, RESIDUES 813-1100
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | VFC N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 3 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.42 Å R-free 0.254 |
| 3ZC6 Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor Deposited 2012-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
813–1100（288 aa）
Fragment：KINASE DOMAIN, RESIDUES 813-1100
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | VFC N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.42 Å R-free 0.254 |
| 3ZC6 Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor Deposited 2012-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
813–1100（288 aa）
Fragment：KINASE DOMAIN, RESIDUES 813-1100
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | VFC N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 PG4 TETRAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.42 Å R-free 0.254 |
| 3ZC6 Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor Deposited 2012-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
813–1100（288 aa）
Fragment：KINASE DOMAIN, RESIDUES 813-1100
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | VFC N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.42 Å R-free 0.254 |
| 3ZEP Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor Deposited 2012-12-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
813–1100（288 aa）
Fragment：KINASE DOMAIN, RESIDUES 813-1100
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 1NX 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.35 Å R-free 0.265 |
| 3ZEP Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor Deposited 2012-12-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
813–1100（288 aa）
Fragment：KINASE DOMAIN, RESIDUES 813-1100
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 1NX 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.35 Å R-free 0.265 |
| 3ZEP Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor Deposited 2012-12-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
813–1100（288 aa）
Fragment：KINASE DOMAIN, RESIDUES 813-1100
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 1NX 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.35 Å R-free 0.265 |
| 3ZEP Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor Deposited 2012-12-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
813–1100（288 aa）
Fragment：KINASE DOMAIN, RESIDUES 813-1100
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 1NX 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.35 Å R-free 0.265 |
| 4HVD JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide Deposited 2012-11-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
811–1124（314 aa）
Fragment：RESIDUES 811-1124
|
Mutation：C1040S, C1048S | PHU 1-phenylurea × 1 933 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；30% PEG3350, 0.1M MES, 0.2M MgCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.85 Å R-free 0.259 |
| 4HVG JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide Deposited 2012-11-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
811–1124（314 aa）
Fragment：RESIDUES 811-1124
|
Mutation：C1040S, C1048S | 19Q 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；30% PEG3350, 0.1M MES, 0.2M MgCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.75 Å R-free 0.274 |
| 4HVH JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl Deposited 2012-11-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
811–1124（314 aa）
Fragment：RESIDUES 811-1124
|
Mutation：C1040S, C1048S | 19R 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；30% PEG3350, 0.1M MES, 0.2M MgCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.283 |
| 4HVI JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide Deposited 2012-11-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
811–1124（314 aa）
Fragment：RESIDUES 811-1124
|
Mutation：C1040S, C1048S | 19S 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；30% PEG3350, 0.1M MES, 0.2M MgCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.303 |
| 4I6Q JAK3 kinase domain in complex with 2-Phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-cyclopropyl-ethyl)-amide Deposited 2012-11-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
811–1124（314 aa）
Fragment：RESIDUES 811-1124, PROTEIN KINASE DOMAIN
|
Mutation：C1040S, C1048S | PHU 1-phenylurea × 1 1DT N-[(1S)-1-cyclopropylethyl]-2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；30% PEG3350, 0.1M MES, 0.2M MgCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.85 Å R-free 0.245 |
| 4QPS Crystal structure of Jak3 complexed to N-[3-(6-Phenylamino-pyrazin-2-yl)-3H-benzoimidazol-5-yl]-acrylamide Deposited 2014-06-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
811–1103（293 aa）
Fragment：Jak3, unp residues 811-1103
|
Mutation：C1040S, C1048S, D949A | 37Q N-{1-[6-(phenylamino)pyrazin-2-yl]-1H-benzimidazol-6-yl}prop-2-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；291 K；25% PEG-3350, 0.2 M ammonium sulfate and 0.1 M BisTRIS pH 5.5, VAPOR DIFFUSION, temperature 291K
|
Resolution 1.80 Å R-free 0.251 |
| 4QPS Crystal structure of Jak3 complexed to N-[3-(6-Phenylamino-pyrazin-2-yl)-3H-benzoimidazol-5-yl]-acrylamide Deposited 2014-06-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
811–1103（293 aa）
Fragment：Jak3, unp residues 811-1103
|
Mutation：C1040S, C1048S, D949A | 37Q N-{1-[6-(phenylamino)pyrazin-2-yl]-1H-benzimidazol-6-yl}prop-2-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；291 K；25% PEG-3350, 0.2 M ammonium sulfate and 0.1 M BisTRIS pH 5.5, VAPOR DIFFUSION, temperature 291K
|
Resolution 1.80 Å R-free 0.251 |
| 4QT1 JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea Deposited 2014-07-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
811–1124（314 aa）
Fragment：RESIDUES 811-1124, PROTEIN KINASE DOMAIN
|
Mutation：C1040S, C1048S | 3C9 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；30% PEG 3350, 0.1M MES, 0.2M MgCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.273 |
| 4RIO Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor Deposited 2014-10-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
810–1100（291 aa）
Fragment：KINASE DOMAIN (UNP residues 810-1100)
|
Mutation：C811S, C1040S, C1048S | 3QX 4-{[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；30% PEG-3350, 200MM MAGNESIUM CHLORIDE 100MM BIS-TRIS PH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.69 Å R-free 0.281 |
| 4V0G JAK3 in complex with a covalent EGFR inhibitor Deposited 2014-09-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
816–1098（283 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 816-1098
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G9B N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.00 Å R-free 0.295 |
| 4V0G JAK3 in complex with a covalent EGFR inhibitor Deposited 2014-09-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
816–1098（283 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 816-1098
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G9B N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.00 Å R-free 0.295 |
| 4Z16 Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide Deposited 2015-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
811–1124（314 aa）
Fragment：UNP residues 811-1124
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 4LH N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M Bis-tris pH 6.5, 16% PEG 3350, 0.2 M ammonium sulfate, 5 mM TCEP
|
Resolution 2.90 Å R-free 0.240 |
| 4Z16 Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide Deposited 2015-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
811–1124（314 aa）
Fragment：UNP residues 811-1124
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 4LH N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M Bis-tris pH 6.5, 16% PEG 3350, 0.2 M ammonium sulfate, 5 mM TCEP
|
Resolution 2.90 Å R-free 0.240 |
| 4Z16 Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide Deposited 2015-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
811–1124（314 aa）
Fragment：UNP residues 811-1124
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 4LH N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M Bis-tris pH 6.5, 16% PEG 3350, 0.2 M ammonium sulfate, 5 mM TCEP
|
Resolution 2.90 Å R-free 0.240 |
| 4Z16 Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide Deposited 2015-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
811–1124（314 aa）
Fragment：UNP residues 811-1124
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 4LH N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M Bis-tris pH 6.5, 16% PEG 3350, 0.2 M ammonium sulfate, 5 mM TCEP
|
Resolution 2.90 Å R-free 0.240 |
| 5LWM Crystal structure of JAK3 in complex with Compound 4 (FM381) Deposited 2016-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1103（292 aa）
|
Not recorded | 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 × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；18-25% PEG 3350, 0.1-0.2 M MgCl2 and 0.1 M MES, pH 5.5-6.1
|
Resolution 1.55 Å R-free 0.204 |
| 5LWN Crystal structure of JAK3 in complex with Compound 5 (FM409) Deposited 2016-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1103（292 aa）
|
Not recorded | PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 6 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 × 1 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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；18-25% PEG 3350, 0.1-0.2 M MgCl2 and 0.1 M MES, pH 5.5-6.1
|
Resolution 1.60 Å R-free 0.209 |
| 5TOZ JAK3 with covalent inhibitor PF-06651600 Deposited 2016-10-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1124（313 aa）
Fragment：UNP residues 812-1124
|
Not recorded | 7H4 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG-3350, 0.2 M ammonium sulfate
|
Resolution 1.98 Å R-free 0.215 |
| 5TTS Jak3 with covalent inhibitor 4 Deposited 2016-11-04 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1124（313 aa）
Fragment：Kinase domain (UNP residues 812-1124)
|
Mutation：C1048S | 7KU 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea
|
Resolution 2.34 Å R-free 0.263 |
| 5TTU Jak3 with covalent inhibitor 7 Deposited 2016-11-04 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1124（313 aa）
Fragment：Kinase domain (UNP residues 812-1124)
|
Mutation：C1048S | 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 × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea
|
Resolution 1.72 Å R-free 0.212 |
| 5TTV Jak3 with covalent inhibitor 6 Deposited 2016-11-04 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1124（313 aa）
Fragment：Kinase domain (UNP residues 812-1124)
|
Mutation：C1048S | 7KX N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea
|
Resolution 1.93 Å R-free 0.250 |
| 5VO6 CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR Deposited 2017-05-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1100（289 aa）
Fragment：KINASE DOMAIN (UNP RESIDUES 810-1100)
|
Mutation：YES | 9J4 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；300 K；NULL
|
Resolution 2.65 Å R-free 0.284 |
| 5W86 CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7) Deposited 2017-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
814–1100（287 aa）
Fragment：KINASE DOMAIN (UNP RESIDUES 810-1100)
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 9YV 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K
|
Resolution 2.61 Å R-free 0.264 |
| 5W86 CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7) Deposited 2017-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
814–1100（287 aa）
Fragment：KINASE DOMAIN (UNP RESIDUES 810-1100)
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 9YV 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K
|
Resolution 2.61 Å R-free 0.264 |
| 5W86 CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7) Deposited 2017-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
814–1100（287 aa）
Fragment：KINASE DOMAIN (UNP RESIDUES 810-1100)
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 9YV 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K
|
Resolution 2.61 Å R-free 0.264 |
| 5W86 CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7) Deposited 2017-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
814–1100（287 aa）
Fragment：KINASE DOMAIN (UNP RESIDUES 810-1100)
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 9YV 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K
|
Resolution 2.61 Å R-free 0.264 |
| 5WFJ THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR Deposited 2017-07-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
810–1100（291 aa）
Fragment：KINASE DOMAIN (UNP RESIDUES 810-1100)
|
Mutation：C4S, C233S, C241S | 9Z4 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K
|
Resolution 2.48 Å R-free 0.255 |
| 6AAK Crystal structure of JAK3 in complex with peficitinib Deposited 2018-07-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
814–1100（287 aa）
Fragment：KINASE DOMAIN, UNP residues 814-1100
Chain B
814–1100（287 aa）
Fragment：KINASE DOMAIN, UNP residues 814-1100
|
Mutation：C1040S, C1048S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C1040S, C1048S Non-standard monomer：Yes (specific site not provided by mmCIF) | 9T6 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；buffer, salt, precipitant
|
Resolution 2.67 Å R-free 0.326 |
| 6AAK Crystal structure of JAK3 in complex with peficitinib Deposited 2018-07-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
814–1100（287 aa）
Fragment：KINASE DOMAIN, UNP residues 814-1100
Chain D
814–1100（287 aa）
Fragment：KINASE DOMAIN, UNP residues 814-1100
|
Mutation：C1040S, C1048S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：C1040S, C1048S Non-standard monomer：Yes (specific site not provided by mmCIF) | 9T6 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；buffer, salt, precipitant
|
Resolution 2.67 Å R-free 0.326 |
| 6DA4 JAK3 with Cyanamide CP10 Deposited 2018-05-01 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1124（313 aa）
Fragment：kinase domain
|
Mutation：C1048S | 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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea
|
Resolution 2.90 Å R-free 0.263 |
| 6DB3 JAK3 with Cyanamide CP23 Deposited 2018-05-02 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1124（313 aa）
Fragment：kinase domain
|
Mutation：C1048S | G54 [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea
|
Resolution 1.97 Å R-free 0.224 |
| 6DUD JAK3 with cyanamide CP12 Deposited 2018-06-20 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1124（313 aa）
Fragment：kinase domain
|
Mutation：C1048S | HB4 N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea
|
Resolution 1.66 Å R-free 0.215 |
| 6GL9 Crystal structure of JAK3 in complex with Compound 10 (FM475) Deposited 2018-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1103（292 aa）
|
Not recorded | 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 × 1 PHU 1-phenylurea × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；24-30% PEG 3350, 0.1 M MES, pH 5.5-6.0 and 0.1-0.2 M MgCl2
|
Resolution 1.70 Å R-free 0.244 |
| 6GL9 Crystal structure of JAK3 in complex with Compound 10 (FM475) Deposited 2018-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
812–1103（292 aa）
|
Not recorded | 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 × 1 PHU 1-phenylurea × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；24-30% PEG 3350, 0.1 M MES, pH 5.5-6.0 and 0.1-0.2 M MgCl2
|
Resolution 1.70 Å R-free 0.244 |
| 6GLA Crystal structure of JAK3 in complex with Compound 11 (FM481) Deposited 2018-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1103（292 aa）
|
Not recorded | 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 × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；24-30% PEG 3350, 0.1 M MES, pH 5.5-6.0 and 0.1-0.2 M MgCl2
|
Resolution 1.92 Å R-free 0.273 |
| 6GLA Crystal structure of JAK3 in complex with Compound 11 (FM481) Deposited 2018-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
812–1103（292 aa）
|
Not recorded | 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 × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；24-30% PEG 3350, 0.1 M MES, pH 5.5-6.0 and 0.1-0.2 M MgCl2
|
Resolution 1.92 Å R-free 0.273 |
| 6GLB Crystal structure of JAK3 in complex with Compound 20 (FM484) Deposited 2018-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1103（292 aa）
|
Not recorded | 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 × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；24-30% PEG 3350, 0.1 M MES, pH 5.5-6.0 and 0.1-0.2 M MgCl2
|
Resolution 2.00 Å R-free 0.290 |
| 6GLB Crystal structure of JAK3 in complex with Compound 20 (FM484) Deposited 2018-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
812–1103（292 aa）
|
Not recorded | 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 × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；24-30% PEG 3350, 0.1 M MES, pH 5.5-6.0 and 0.1-0.2 M MgCl2
|
Resolution 2.00 Å R-free 0.290 |
| 6HZV HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND Deposited 2018-10-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
815–1099（285 aa）
Fragment：KINASE DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GYW 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；30% PEG3350, 0.1M BIS-TRIS, 0.2M MgCl, pH 6.0
|
Resolution 2.46 Å R-free 0.275 |
| 6HZV HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND Deposited 2018-10-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
815–1099（285 aa）
Fragment：KINASE DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GYW 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；30% PEG3350, 0.1M BIS-TRIS, 0.2M MgCl, pH 6.0
|
Resolution 2.46 Å R-free 0.275 |
| 6HZV HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND Deposited 2018-10-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
815–1099（285 aa）
Fragment：KINASE DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GYW 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；30% PEG3350, 0.1M BIS-TRIS, 0.2M MgCl, pH 6.0
|
Resolution 2.46 Å R-free 0.275 |
| 6HZV HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND Deposited 2018-10-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
815–1099（285 aa）
Fragment：KINASE DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GYW 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；30% PEG3350, 0.1M BIS-TRIS, 0.2M MgCl, pH 6.0
|
Resolution 2.46 Å R-free 0.275 |
| 6NY4 Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor Deposited 2019-02-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
810–1100（291 aa）
Fragment：kinase domain (UNP residues 810-1100)
|
Mutation：C811S,C1040S,C1048S | Z3A 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；30% PEG3350, 200 mM magnesium chloride, 100 mM Bis-Tris, pH 5.8
|
Resolution 2.33 Å R-free 0.241 |
| 7APF Crystal structure of JAK3 in complex with FM601 (compound 10a) Deposited 2020-10-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1103（292 aa）
|
Not recorded | RQZ 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；25% PEG 3350, 0.1-0.2 M MgCl2, 0.1 M MES, pH 5.5
|
Resolution 1.95 Å R-free 0.255 |
| 7APF Crystal structure of JAK3 in complex with FM601 (compound 10a) Deposited 2020-10-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
812–1103（292 aa）
|
Not recorded | RQZ 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；25% PEG 3350, 0.1-0.2 M MgCl2, 0.1 M MES, pH 5.5
|
Resolution 1.95 Å R-free 0.255 |
| 7APG Crystal structure of JAK3 in complex with FM587 (compound 9a) Deposited 2020-10-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1103（292 aa）
|
Not recorded | RQT ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；25% PEG 3350, 0.1-0.2 M MgCl2 and 0.1 M MES, pH 5.5
|
Resolution 2.40 Å R-free 0.256 |
| 7APG Crystal structure of JAK3 in complex with FM587 (compound 9a) Deposited 2020-10-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
812–1103（292 aa）
|
Not recorded | RQT ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；25% PEG 3350, 0.1-0.2 M MgCl2 and 0.1 M MES, pH 5.5
|
Resolution 2.40 Å R-free 0.256 |
| 7APG Crystal structure of JAK3 in complex with FM587 (compound 9a) Deposited 2020-10-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
812–1103（292 aa）
|
Not recorded | RQT ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；25% PEG 3350, 0.1-0.2 M MgCl2 and 0.1 M MES, pH 5.5
|
Resolution 2.40 Å R-free 0.256 |
| 7APG Crystal structure of JAK3 in complex with FM587 (compound 9a) Deposited 2020-10-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
812–1103（292 aa）
|
Not recorded | RQT ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide × 1 PHU 1-phenylurea × 1 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；25% PEG 3350, 0.1-0.2 M MgCl2 and 0.1 M MES, pH 5.5
|
Resolution 2.40 Å R-free 0.256 |
| 7C3N Crystal structure of JAK3 in complex with Delgocitinib Deposited 2020-05-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1124（313 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277.15 K；50mM Pipes pH6.0, 1.1M sodium malonate, 1.6% glycerol, 10mM DTT
|
Resolution 1.98 Å R-free 0.194 |
| 7Q6H HUMAN JAK3 KINASE DOMAIN WITH 1-(4-((2-((1-methyl-1H-pyrazol-4-yl)amino)quinazolin-8-yl)amino)piperidin-1-yl)ethan-1-one Deposited 2021-11-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
806–1124（319 aa）
|
Not recorded | 934 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone × 1 SO4 SULFATE ION × 1 PHU 1-phenylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；8-20% PEG3350 and 0.2-0.3M ammonium sulphate (AS). 2% phenylurea
|
Resolution 1.75 Å R-free 0.220 |
| 7UYV Crystal structure of JAK3 kinase domain in complex with compound 25 Deposited 2022-05-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
810–1100（291 aa）
Fragment：KINASE DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | OV5 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；Crystals of human JAK3 in complex with the ligand were prepared according to established protocols
|
Resolution 2.15 Å R-free 0.263 |
| 7UYV Crystal structure of JAK3 kinase domain in complex with compound 25 Deposited 2022-05-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
810–1100（291 aa）
Fragment：KINASE DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | OV5 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；Crystals of human JAK3 in complex with the ligand were prepared according to established protocols
|
Resolution 2.15 Å R-free 0.263 |
| 7UYV Crystal structure of JAK3 kinase domain in complex with compound 25 Deposited 2022-05-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
810–1100（291 aa）
Fragment：KINASE DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | OV5 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；Crystals of human JAK3 in complex with the ligand were prepared according to established protocols
|
Resolution 2.15 Å R-free 0.263 |
| 7UYV Crystal structure of JAK3 kinase domain in complex with compound 25 Deposited 2022-05-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
810–1100（291 aa）
Fragment：KINASE DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | OV5 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；Crystals of human JAK3 in complex with the ligand were prepared according to established protocols
|
Resolution 2.15 Å R-free 0.263 |
| 8EXM Crystal structure of PTP1B D181A/Q262A phosphatase domain with a JAK3 activation loop phosphopeptide Deposited 2022-10-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
973–988（16 aa）
Fragment：residues 973-988 of JAK3
|
Not recorded | PO4 PHOSPHATE ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；281.15 K；12% Peg 4K, 0.15 M Calcium acetate, 0.05 M MES (pH 6.5)
|
Resolution 2.35 Å R-free 0.247 |
| 9R5Z Crystal structure of JAK3 with GCL258 Deposited 2025-05-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
812–1103（292 aa）
|
Not recorded | A1JJU 3-(3-cyclohexyl-3,8,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-5-yl)benzenesulfonyl fluoride × 1 PHU 1-phenylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；31% PEG 3350, 0.2M MgCl2, 0.1M MES pH5.5.
|
Resolution 1.80 Å R-free 0.289 |
| 9R5Z Crystal structure of JAK3 with GCL258 Deposited 2025-05-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
812–1103（292 aa）
|
Not recorded | A1JJU 3-(3-cyclohexyl-3,8,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-5-yl)benzenesulfonyl fluoride × 1 PHU 1-phenylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；31% PEG 3350, 0.2M MgCl2, 0.1M MES pH5.5.
|
Resolution 1.80 Å R-free 0.289 |
41 other PDB entries and 70 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | JAK3_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 9–321； UniProt 812–1124 |
