UniProt Q05397
Focal adhesion kinase 1 (Q05397)
Focal adhesion kinase 1 (UniProt Q05397), EC 2.7.1.112, 2.7.10.2: 71 experimental structures and 1 predicted model on GenesisL1, 28 ligands bound, 262 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q05397
- Protein
- Focal adhesion kinase 1
- EC
- 2.7.1.112, 2.7.10.2
- Experimental structures
- 71
- Predicted models
- 1
- Ligands
- 28
- Pockets
- 262 · 45 records with a druggable one
Structures
72 records of Q05397 in the MolNFT archive: 71 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1K04 | Crystal Structure of the Focal Adhesion Targeting Domain of Focal Adhesion Kinase | x-ray diffraction | A | CL | 1 (best 0.34) |
| 1K04 | Crystal structure of the focal adhesion targeting domain of focal adhesion kinase | x-ray diffraction | A | CL | 1 (best 0.34) |
| 1K05 | Crystal structure of the Focal Adhesion Targeting Domain of Focal Adhesion Kinase | x-ray diffraction | A, B, C | — | 6 (best 0.49) |
| 1K05 | Crystal structure of the focal adhesion targeting domain of focal adhesion kinase | x-ray diffraction | A, B, C | — | 6 (best 0.49) |
| 1MP8 | Crystal structure of Focal Adhesion Kinase (FAK) | x-ray diffraction | A | ADP | 1 (best 0.65) |
| 1MP8 | Crystal structure of focal adhesion kinase (fak) | x-ray diffraction | A | ADP | 1 (best 0.65) |
| 1OW6 | Paxillin LD4 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase | x-ray diffraction | A, B, C | — | 8 (best 0.41) |
| 1OW6 | Paxillin LD4 motif bound to the focal adhesion targeting (fat) domain of the focal adhesion kinase | x-ray diffraction | A, B, C | — | 8 (best 0.41) |
| 1OW7 | Paxillin LD4 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase | x-ray diffraction | A, B, C | — | 8 (best 0.47) |
| 1OW7 | Paxillin LD4 motif bound to the focal adhesion targeting (fat) domain of the focal adhesion kinase | x-ray diffraction | A, B, C | — | 8 (best 0.47) |
| 1OW8 | Paxillin LD2 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase | x-ray diffraction | A, B, C | — | 8 (best 0.44) |
| 1OW8 | Paxillin LD2 motif bound to the focal adhesion targeting (fat) domain of the focal adhesion kinase | x-ray diffraction | A, B, C | — | 8 (best 0.44) |
| 2ETM | Crystal Structure of Focal Adhesion Kinase Domain Complexed with 7H-Pyrrolo [2,3-d] pyrimidine… | x-ray diffraction | A, B | 7PY | 4 (best 0.69) |
| 2ETM | Crystal structure of focal adhesion kinase domain complexed with 7H-pyrrolo [2,3-D] pyrimidine… | x-ray diffraction | A, B | 7PY | 4 (best 0.69) |
| 2IJM | Crystal Structure of Focal Adhesion Kinase Domain with 2 molecules in the Asymmetric Unit Complexed… | x-ray diffraction | A, B | ATP, ADP | 2 (best 0.67) |
| 2IJM | Crystal structure of focal adhesion kinase domain with 2 molecules in the asymmetric unit complexed… | x-ray diffraction | A, B | ATP, ADP | 2 (best 0.67) |
| 3B71 | CD4 endocytosis motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion… | x-ray diffraction | A, B, C | — | 7 (best 0.42) |
| 3B71 | CD4 endocytosis motif bound to the focal adhesion targeting (fat) domain of the focal adhesion… | x-ray diffraction | A, B, C | — | 7 (best 0.42) |
| 3BZ3 | Crystal Structure Analysis of Focal Adhesion Kinase with a Methanesulfonamide Diaminopyrimidine… | x-ray diffraction | A | YAM | 2 (best 0.61) |
| 3BZ3 | Crystal structure analysis of focal adhesion kinase with a methanesulfonamide diaminopyrimidine… | x-ray diffraction | A | YAM | 2 (best 0.61) |
| 3S9O | The Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase showing N-terminal… | x-ray diffraction | A, B, C | NA, CL | 7 (best 0.48) |
| 3S9O | The focal adhesion targeting (fat) domain of the focal adhesion kinase showing N-terminal… | x-ray diffraction | A, B, C | NA, CL | 7 (best 0.48) |
| 4EBV | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | x-ray diffraction | A | 0O7 | 1 (best 0.78) |
| 4EBV | Structure of focal adhesion kinase catalytic domain in complex with novel allosteric inhibitor | x-ray diffraction | A | 0O7 | 1 (best 0.78) |
| 4EBW | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | x-ray diffraction | A | 0PF | 1 (best 0.78) |
| 4EBW | Structure of focal adhesion kinase catalytic domain in complex with novel allosteric inhibitor | x-ray diffraction | A | 0PF | 1 (best 0.78) |
| 4GU6 | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH… | x-ray diffraction | A, B | 10N | 5 (best 0.65) |
| 4GU6 | Focal adhesion kinase catalytic domain in complex with N-{3-[(5-cyano… | x-ray diffraction | A, B | 10N | 5 (best 0.65) |
| 4GU9 | Focal adhesion kinase catalytic domain in complex with… | x-ray diffraction | A, B | 4GU | 3 (best 0.72) |
| 4GU9 | Focal adhesion kinase catalytic domain in complex with (2-fluoro… | x-ray diffraction | A, B | 4GU | 3 (best 0.72) |
| 4I4E | Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding… | x-ray diffraction | A | 1BQ | 1 (best 0.61) |
| 4I4E | Structure of focal adhesion kinase catalytic domain in complex with hinge binding… | x-ray diffraction | A | 1BQ | 1 (best 0.61) |
| 4I4F | Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding… | x-ray diffraction | A | 1BR | 1 (best 0.80) |
| 4I4F | Structure of focal adhesion kinase catalytic domain in complex with an allosteric binding… | x-ray diffraction | A | 1BR | 1 (best 0.80) |
| 4K8A | Fragment-based discovery of Focal Adhesion Kinase Inhibitors | x-ray diffraction | A, B | K8A | 4 (best 0.68) |
| 4K8A | Fragment-based discovery of focal adhesion kinase inhibitors | x-ray diffraction | A, B | K8A | 4 (best 0.68) |
| 4K9Y | FOCAL ADHESION KINASE Catalytic domain in complex with… | x-ray diffraction | A | K9Y | 1 (best 0.74) |
| 4K9Y | Focal adhesion kinase catalytic domain in complex with 1-[4-(6-amino… | x-ray diffraction | A | K9Y | 1 (best 0.74) |
| 4KAB | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 3-Methyl-1,4-dihydro-pyrazolo[4,5-c]pyrazole | x-ray diffraction | A, B | 4KA | 4 (best 0.73) |
| 4KAB | Focal adhesion kinase catalytic domain in complex with 3-methyl-1,4- dihydro-PYRAZOLO[4,5-C]PYRAZOLE | x-ray diffraction | A, B | 4KA | 4 (best 0.73) |
| 4KAO | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH… | x-ray diffraction | A, B | KAO, SO4 | 4 (best 0.70) |
| 4KAO | Focal adhesion kinase catalytic domain in complex with 1-(5-tert… | x-ray diffraction | A, B | KAO, SO4 | 4 (best 0.70) |
| 4NY0 | Crystal structure of FERM domain of human focal adhesion kinase | x-ray diffraction | D, A, B, C | — | 11 (best 0.71) |
| 4NY0 | Crystal structure of ferm domain of human focal adhesion kinase | x-ray diffraction | D, A, B, C | — | 11 (best 0.71) |
| 4Q9S | Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1… | x-ray diffraction | A | 30G | 1 (best 0.62) |
| 4Q9S | Crystal structure of human focal adhesion kinase (fak) bound to COMPOUND1… | x-ray diffraction | A | 30G | 1 (best 0.62) |
| 6I8Z | Crystal structure of PTK2 in complex with BI-4464. | x-ray diffraction | A | H82 | 1 (best 0.64) |
| 6I8Z | Crystal structure of PTK2 in complex with bi-4464. | x-ray diffraction | A | H82 | 1 (best 0.64) |
| 6LES | 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal adhesion… | x-ray diffraction | A, B, X, Y | SO4 | 7 (best 0.78) |
| 6LES | 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal adhesion… | x-ray diffraction | A, B, X, Y | SO4 | 7 (best 0.78) |
| 6PW8 | Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the… | x-ray diffraction | A | ZN, CL | — |
| 6PW8 | Hydrocarbon-stapled paxillin peptide bound to the focal adhesion targeting (fat) domain of the… | x-ray diffraction | A | ZN, CL | — |
| 6YOJ | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH… | x-ray diffraction | A | P4N | 1 (best 0.61) |
| 6YOJ | Focal adhesion kinase catalytic domain in complex with 6-[4-(3… | x-ray diffraction | A | P4N | — |
| 6YQ1 | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH… | x-ray diffraction | A, B, C, D | P7N, NA, SO4 | 13 (best 0.82) |
| 6YQ1 | Focal adhesion kinase catalytic domain in complex with N-methyl-N-(3… | x-ray diffraction | A, B, C, D | P7N, NA, SO4 | — |
| 6YR9 | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH… | x-ray diffraction | A, B, C, D | P9K | 10 (best 0.65) |
| 6YR9 | Focal adhesion kinase catalytic domain in complex with N-methyl-N-(2… | x-ray diffraction | A, B, C, D | P9K | — |
| 6YT6 | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH… | x-ray diffraction | A, B | PKE, SO4 | 3 (best 0.66) |
| 6YT6 | Focal adhesion kinase catalytic domain in complex with N-methyl-N-(3… | x-ray diffraction | A, B | PKE, SO4 | — |
12 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 14 records
- CL · Chloride ion · in 6 records
- ADP · Adenosine-5'-diphosphate · in 4 records
- NA · Sodium ion · in 4 records
- ZN · Zinc ion · in 4 records
- 0O7 · 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide · in 2 records
- 0PF · 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide · in 2 records
- 10N · N-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide · in 2 records
- 1BQ · [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone · in 2 records
- 1BR · N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide · in 2 records
- 30G · 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one · in 2 records
- 4GU · N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine · in 2 records
- 4KA · 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole · in 2 records
- 7PY · 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine · in 2 records
- ATP · Adenosine-5'-triphosphate · in 2 records
- H82 · 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide · in 2 records
- K8A · 3-bromo-5-(2H-tetrazol-5-yl)pyridine · in 2 records
- K9Y · 1-[4-(6-amino-9H-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea · in 2 records
- KAO · 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea · in 2 records
- P1E · 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide · in 2 records
- P4N · 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one · in 2 records
- P7N · ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl) pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide · in 2 records
- P9K · N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide · in 2 records
- PKE · ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide · in 2 records
- PVT · 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl) pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one · in 2 records
- Q2H · ~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide · in 2 records
- YAM · N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl) amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino) methyl]pyridin-2-yl}methanesulfonamide · in 2 records
- 7QB · (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide · in 1 record
Experiment against prediction
- 6YVY chain D against the predicted model Q05397: TM-score 0.99, RMSD 0.55 Å
- 6YVY chain D against the predicted model Q05397: TM-score 0.99, RMSD 0.55 Å
- 6YVS chain C against the predicted model Q05397: TM-score 0.99, RMSD 0.59 Å
- 6YVS chain C against the predicted model Q05397: TM-score 0.99, RMSD 0.59 Å
- 4NY0 chain D against the predicted model Q05397: TM-score 0.99, RMSD 0.85 Å
- 4NY0 chain D against the predicted model Q05397: TM-score 0.99, RMSD 0.85 Å
- 6YT6 chain B against the predicted model Q05397: TM-score 0.99, RMSD 0.73 Å
- 6YT6 chain B against the predicted model Q05397: TM-score 0.99, RMSD 0.73 Å
- 4NY0 chain B against the predicted model Q05397: TM-score 0.98, RMSD 0.96 Å
- 4NY0 chain B against the predicted model Q05397: TM-score 0.98, RMSD 0.96 Å
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.