UniProt Q06187
Tyrosine-protein kinase BTK (Q06187)
Tyrosine-protein kinase BTK (UniProt Q06187), EC 2.7.10.2: 193 experimental structures and 1 predicted model on GenesisL1, 94 ligands bound, 98 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q06187
- Protein
- Tyrosine-protein kinase BTK
- EC
- 2.7.10.2
- Experimental structures
- 193
- Predicted models
- 1
- Ligands
- 94
- Pockets
- 98 · 32 records with a druggable one
Structures
194 records of Q06187 in the MolNFT archive: 193 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1AWW | SH3 domain from BRUTON'S tyrosine kinase, NMR, 42 structures | solution nmr | A | — | — |
| 1AWW | SH3 domain from BRUTON'S tyrosine kinase, NMR, 42 structures | solution nmr | A | — | — |
| 1AWX | SH3 domain from BRUTON'S tyrosine kinase, NMR, minimized average structure | solution nmr | A | — | — |
| 1AWX | SH3 domain from BRUTON'S tyrosine kinase, NMR, minimized average structure | solution nmr | A | — | — |
| 1B55 | PH domain from BRUTON'S tyrosine kinase in complex with inositol 1,3,4,5-tetrakisphosphate | x-ray diffraction | A, B | — | — |
| 1B55 | PH domain from BRUTON'S tyrosine kinase in complex with inositol 1,3, 4,5-tetrakisphosphate | x-ray diffraction | A, B | — | — |
| 1BTK | PH domain and btk motif from BRUTON'S tyrosine kinase mutant R28C | x-ray diffraction | A, B | — | — |
| 1BTK | PH domain and btk motif from BRUTON'S tyrosine kinase mutant R28C | x-ray diffraction | A, B | — | — |
| 1BWN | PH domain and btk motif from BRUTON'S tyrosine kinase mutant E41K in complex with INS(1,3,4,5)P4 | x-ray diffraction | A, B | — | — |
| 1BWN | PH domain and btk motif from BRUTON'S tyrosine kinase mutant E41K in complex with INS(1,3,4,5)P4 | x-ray diffraction | A, B | — | — |
| 1K2P | Crystal structure of Bruton's tyrosine kinase domain | x-ray diffraction | A, B | — | — |
| 1K2P | Crystal structure of BRUTON'S tyrosine kinase domain | x-ray diffraction | A, B | — | — |
| 1QLY | NMR Study of the SH3 Domain From Bruton's Tyrosine Kinase, 20 Structures | solution nmr | A | — | — |
| 1QLY | NMR study of the SH3 domain from BRUTON'S tyrosine kinase, 20 structures | solution nmr | A | — | — |
| 2GE9 | Solution Structures of the SH2 domain of Bruton's Tyrosine Kinase | solution nmr | A | — | — |
| 2GE9 | Solution structures of the SH2 domain of BRUTON'S tyrosine kinase | solution nmr | A | — | — |
| 2Z0P | Crystal structure of PH domain of Bruton's tyrosine kinase | x-ray diffraction | A, B, C, D | — | — |
| 2Z0P | Crystal structure of pH domain of BRUTON'S tyrosine kinase | x-ray diffraction | A, B, C, D | — | — |
| 3GEN | The 1.6 A crystal structure of human bruton's tyrosine kinase bound to a… | x-ray diffraction | A | — | — |
| 3GEN | The 1.6 a crystal structure of human BRUTON'S tyrosine kinase bound to a… | x-ray diffraction | A | — | — |
| 3K54 | Structures of human Bruton's tyrosine kinase in active and inactive conformations suggests a… | x-ray diffraction | A | — | — |
| 3K54 | Structures of human BRUTON'S tyrosine kinase in active and inactive conformations suggests a… | x-ray diffraction | A | — | — |
| 3OCS | Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746 | x-ray diffraction | A | — | — |
| 3OCS | Crystal structure of BRUTON'S tyrosine kinase in complex with inhibitor CGI1746 | x-ray diffraction | A | — | — |
| 3OCT | Crystal structure of bruton's tyrosine kinase mutant V555R in complex with dasatinib | x-ray diffraction | A | — | — |
| 3OCT | Crystal structure of BRUTON'S tyrosine kinase mutant V555R in complex with dasatinib | x-ray diffraction | A | — | — |
| 3P08 | Crystal structure of the human BTK kinase domain | x-ray diffraction | A, B | — | — |
| 3P08 | Crystal structure of the human btk kinase domain | x-ray diffraction | A, B | — | — |
| 3PIX | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 3PIX | Crystal structure of btk kinase domain complexed with 2-isopropyl-7… | x-ray diffraction | A | — | — |
| 3PIY | Crystal structure of BTK kinase domain complexed with R406 | x-ray diffraction | A | — | — |
| 3PIY | Crystal structure of btk kinase domain complexed with R406 | x-ray diffraction | A | — | — |
| 3PIZ | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 3PIZ | Crystal structure of btk kinase domain complexed with (5-amino-1-O… | x-ray diffraction | A | — | — |
| 3PJ1 | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 3PJ1 | Crystal structure of btk kinase domain complexed with 3-(2,6-dichloro… | x-ray diffraction | A | — | — |
| 3PJ2 | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 3PJ2 | Crystal structure of btk kinase domain complexed with 2-[4-(2… | x-ray diffraction | A | — | — |
| 3PJ3 | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 3PJ3 | Crystal structure of btk kinase domain complexed with 2-methyl-5-[(E)… | x-ray diffraction | A | — | — |
| 4NWM | Crystal structure of Bruton agammaglobulinemia tyrosine kinase complexed with BMS-809959 aka… | x-ray diffraction | A, B | — | — |
| 4NWM | Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with bms-809959 aka… | x-ray diffraction | A, B | — | — |
| 4OT5 | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 4OT5 | Crystal structure of btk kinase domain complexed with 4-tert-butyl-N… | x-ray diffraction | A | — | — |
| 4OT6 | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 4OT6 | Crystal structure of btk kinase domain complexed with 4… | x-ray diffraction | A | — | — |
| 4OTF | Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 | x-ray diffraction | A | — | — |
| 4OTF | Crystal structure of the kinase domain of BRUTON'S tyrosine kinase with GDC0834 | x-ray diffraction | A | — | — |
| 4OTQ | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 4OTQ | Crystal structure of btk kinase domain complexed with 1-[5-[3-(7-tert… | x-ray diffraction | A | — | — |
| 4OTR | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 4OTR | Crystal structure of btk kinase domain complexed with 6-cyclopropyl-2… | x-ray diffraction | A | — | — |
| 4RFY | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 4RFY | Crystal structure of btk kinase domain complexed with 6… | x-ray diffraction | A | — | — |
| 4RFZ | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 4RFZ | Crystal structure of btk kinase domain complexed with 6… | x-ray diffraction | A | — | — |
| 4RG0 | Crystal structure of BTK kinase domain complexed with… | x-ray diffraction | A | — | — |
| 4RG0 | Crystal structure of btk kinase domain complexed with 2-[8-fluoro-2… | x-ray diffraction | A | — | — |
| 4RX5 | Bruton's tyrosine kinase (BTK) with pyridazi compound 23 | x-ray diffraction | A | — | — |
| 4RX5 | BRUTON'S tyrosine kinase (btk) with pyridazinone compound 23 | x-ray diffraction | A | — | — |
134 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 22 records
- ZN · Zinc ion · in 10 records
- MG · Magnesium ion · in 8 records
- CL · Chloride ion · in 5 records
- 5WE · 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino) butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide · in 4 records
- 0B9 · (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide · in 2 records
- 0BG · N-{2-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl) amino]ethyl}-N~2~-phenylglycinamide · in 2 records
- 0BQ · 5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one · in 2 records
- 0CI · 5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one · in 2 records
- 6XL · 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one · in 2 records
- 72V · 1-methylindole-2,3-dione · in 2 records
- 7G6 · 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one · in 2 records
- 83P · (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide · in 2 records
- 9B1 · 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4, 5]thieno[2,3-c]pyridin-1(5H)-one · in 2 records
- 9M3 · N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl) phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide · in 2 records
- BNB · N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide · in 2 records
- BXJ · N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl) phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide · in 2 records
- BXM · 4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide · in 2 records
- DVJ · N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1, 6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide · in 2 records
- GJ7 · 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide · in 2 records
- GJD · 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide · in 2 records
- GJG · 6-(cyclohexylamino)pyridine-3-carboxamide · in 2 records
- GMW · (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11, 13-pentaen-5-one · in 2 records
- HRA · 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3, 4-trideoxy-D-erythro-hexitol · in 2 records
- KHD · N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide · in 2 records
- KLP · N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide · in 2 records
- NA · Sodium ion · in 2 records
- NXT · 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid · in 2 records
- R1L · (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile · in 2 records
- RQS · N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl) phenyl]methyl}benzamide · in 2 records
Experiment against prediction
- 5JRS chain A against the predicted model Q06187: TM-score 0.99, RMSD 0.49 Å
- 5JRS chain A against the predicted model Q06187: TM-score 0.99, RMSD 0.49 Å
- 5JRS chain B against the predicted model Q06187: TM-score 0.99, RMSD 0.55 Å
- 5JRS chain B against the predicted model Q06187: TM-score 0.99, RMSD 0.55 Å
- 6TFP chain A against the predicted model Q06187: TM-score 0.99, RMSD 0.56 Å
- 6TFP chain E against the predicted model Q06187: TM-score 0.99, RMSD 0.58 Å
- 6TFP chain C against the predicted model Q06187: TM-score 0.99, RMSD 0.60 Å
- 6TSE chain B against the predicted model Q06187: TM-score 0.99, RMSD 0.46 Å
- 6TSE chain B against the predicted model Q06187: TM-score 0.99, RMSD 0.46 Å
- 3OCS chain A against the predicted model Q06187: TM-score 0.99, RMSD 0.61 Å
Elsewhere
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