UniProt P49759
Dual specificity protein kinase CLK1 (P49759)
Dual specificity protein kinase CLK1 (UniProt P49759), EC 2.7.12.1: 45 experimental structures and 1 predicted model on GenesisL1, 37 ligands bound, 5 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P49759
- Protein
- Dual specificity protein kinase CLK1
- EC
- 2.7.12.1
- Experimental structures
- 45
- Predicted models
- 1
- Ligands
- 37
- Pockets
- 5 · 2 records with a druggable one
Structures
46 records of P49759 in the MolNFT archive: 45 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1Z57 | Crystal structure of human CLK1 in complex with 10Z-Hymenialdisine | x-ray diffraction | A | — | — |
| 1Z57 | Crystal structure of human CLK1 in complex with 10Z-hymenialdisine | x-ray diffraction | A | — | — |
| 2VAG | Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole… | x-ray diffraction | A | — | — |
| 2VAG | Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole… | x-ray diffraction | A | — | — |
| 5J1V | Crystal structure of human CLK1 in complex with PYRIDO[3,4- G]QUINAZOLINE derivative ZW29 (compound… | x-ray diffraction | A, B, C | — | — |
| 5J1W | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound… | x-ray diffraction | A, B, C | 6FB, PO4 | — |
| 5J1W | Crystal structure of human CLK1 in complex with PYRIDO[3,4- G]QUINAZOLINE derivative ZW31 (compound… | x-ray diffraction | A, B, C | — | — |
| 5X8I | Crystal structure of human CLK1 in complex with compound 25 | x-ray diffraction | B, A | SQZ | — |
| 6FT8 | Crystal structure of CLK1 in complex with inhibitor 8g | x-ray diffraction | A | E6T, NA, CL | — |
| 6FT8 | Crystal structure of CLK1 in complex with inhibitor 8G | x-ray diffraction | A | E6T, NA, CL | — |
| 6FT9 | Crystal structure of CLK1 in complex with inhibitor 16 | x-ray diffraction | A, B, C | E6W, BR, PO4, NA | — |
| 6FT9 | Crystal structure of CLK1 in complex with inhibitor 16 | x-ray diffraction | A, B, C | E6W, BR, PO4, NA | — |
| 6FYO | X-ray structure of CLK1-KD(148-484)/CPD-2 at 2.32A | x-ray diffraction | A | EAQ, SO4 | — |
| 6G33 | Crystal structure of CLK1 in complex with 5-iodotubercidin | x-ray diffraction | A, B, C | 5ID, IOD, PO4 | — |
| 6I5H | Crystal structure of CLK1 in complex with furanopyrimidin VN412 | x-ray diffraction | A | H3N | — |
| 6I5H | Crystal structure of CLK1 in complex with furanopyrimidin VN412 | x-ray diffraction | A | H3N | — |
| 6I5I | Crystal structure of CLK1 in complexed with FURO[3,2-B]PYRIDINE compound 12H | x-ray diffraction | A | H3E | — |
| 6I5K | Crystal structure of CLK1 in complexed with FURO[3,2-B]PYRIDINE compound VN345 (derivative of… | x-ray diffraction | A, B, C | H3H, PO4 | — |
| 6I5L | Crystal structure of CLK1 in complexed with FURO[3,2-B]PYRIDINE compound VN316 (derivative of… | x-ray diffraction | A, B, C | PO4, H3Q | — |
| 6KHD | Crystal structure of CLK1 in complex with CX-4945 | x-ray diffraction | A, B, C | 3NG | — |
| 6KHD | Crystal structure of CLK1 in complex with cx-4945 | x-ray diffraction | A, B, C | 3NG | — |
| 6Q8K | CLK1 with bound pyridoquinazoline | x-ray diffraction | A | FG9 | — |
| 6Q8P | Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine | x-ray diffraction | A, B, C | HQB, K | — |
| 6Q8P | Structure of CLK1 with bound N-methyl-10-NITROPYRIDO[3,4-G]QUINAZOLIN- 2-amine | x-ray diffraction | A, B, C | HQB, K | — |
| 6QTY | Non-phosphorylated human CLK1 in complex with an indole inhibitor to 1.65 ang | x-ray diffraction | A | V25 | — |
| 6R3D | Crystal structure of di-phosphorylated human CLK1 in complex with 4… | x-ray diffraction | A | JQW | — |
| 6R6E | Crystal structure of di-phosphorylated human CLK1 in complex with 5… | x-ray diffraction | A | JTQ | — |
| 6R6X | Crystal structure of di-phosphorylated human CLK1 in complex with 5… | x-ray diffraction | A | JU8 | — |
| 6R8J | Crystal structure of di-phosphorylated human CLK1 in complex with 4… | x-ray diffraction | A | JUW | — |
| 6RAA | CLK1 kinase domain with bound imidazopyridin inhibitor TP003 | x-ray diffraction | A | JWN | — |
| 6TW2 | Re-refined crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted… | x-ray diffraction | E | V25 | — |
| 6YTA | CLK1 bound with imidazopyridazine (cpd 1) | x-ray diffraction | A | IYZ | — |
| 6YTD | CLK1 V324A mutant bound with benzothiazole TG003 (cpd 2) | x-ray diffraction | A | EAE | — |
| 6YTE | CLK1 bound with benzothiazole TG003 (cpd 2) | x-ray diffraction | C | EAE | — |
| 6YTG | CLK1 bound with beta-carboline KH-CARB13 (Cpd 3) | x-ray diffraction | A | KHC | — |
| 6YTG | CLK1 bound with beta-carboline kh-CARB13 (cpd 3) | x-ray diffraction | A | KHC | — |
| 6YTI | CLK1 bound with ETH1610 (cpd 17) | x-ray diffraction | A | 7A7 | — |
| 6Z4Z | Crystal structure of CLK1 in complex with macrocycle ODS2004070 | x-ray diffraction | A, B, C | PO4, PQ5 | — |
| 6Z50 | Crystal structure of CLK1 in complex with macrocycle ODS2003208 | x-ray diffraction | A | Q7K, NA | — |
| 6ZLN | CLK1 bound with GW807982X (cpd 8) | x-ray diffraction | A | PKB | — |
| 7AK3 | CLK1 bound with CAF052 | x-ray diffraction | A | RH8 | 3 (best 0.64) |
| 7AK3 | CLK1 bound with CAF052 | x-ray diffraction | A | RH8 | — |
| 7O9Y | Crystal structure of di-phosphorylated human CLK1 in complex with 4… | x-ray diffraction | A | V5T | — |
| 7OPG | Crystal structure of CLK1 in complex with compound 2 (CC513) | x-ray diffraction | A, B, C | 06N, PO4 | — |
| 8UWN | Crystal structure of human CLK1 kinase in complex with compound 3 | x-ray diffraction | A | SO4, XQX | 2 (best 0.74) |
| P49759 | AlphaFold monomer V2.0 prediction for dual specificity protein kinase CLK1 (P49759) | predicted | A | — | — |
Ligands
- PO4 · Phosphate ion · in 8 records
- NA · Sodium ion · in 5 records
- 3NG · 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid · in 2 records
- BR · Bromide ion · in 2 records
- CL · Chloride ion · in 2 records
- E6T · 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one · in 2 records
- E6W · 2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one · in 2 records
- EAE · (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one · in 2 records
- H3N · 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine · in 2 records
- HQB · ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine · in 2 records
- K · Potassium ion · in 2 records
- KHC · (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile · in 2 records
- RH8 · ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine · in 2 records
- SO4 · Sulfate ion · in 2 records
- V25 · Ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate · in 2 records
- 06N · 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol · in 1 record
- 5ID · (2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol · in 1 record
- 6FB · pyrido[3,4-g]quinazolin-2-amine · in 1 record
- 7A7 · Methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1, 3]thiazolo[5,4-f]quinazoline-2-carboximidate · in 1 record
- EAQ · 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide · in 1 record
- FG9 · ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine · in 1 record
- H3E · 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine · in 1 record
- H3H · 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl) furo[3,2-b]pyridine · in 1 record
- H3Q · 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3, 2-b]pyridine · in 1 record
- IOD · Iodide ion · in 1 record
- IYZ · 1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone · in 1 record
- JQW · 4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine · in 1 record
- JTQ · 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine · in 1 record
- JU8 · 5-(1-methylindol-3-yl)pyrimidin-4-amine · in 1 record
- JUW · 4-(1-methylindol-3-yl)pyrimidin-2-amine · in 1 record
Experiment against prediction
- 5X8I chain B against the predicted model P49759: TM-score 0.99, RMSD 0.69 Å
- 6KHD chain B against the predicted model P49759: TM-score 0.99, RMSD 0.70 Å
- 6KHD chain B against the predicted model P49759: TM-score 0.99, RMSD 0.70 Å
- 6R6X chain A against the predicted model P49759: TM-score 0.99, RMSD 0.73 Å
- 5X8I chain A against the predicted model P49759: TM-score 0.99, RMSD 0.74 Å
- 6R6E chain A against the predicted model P49759: TM-score 0.99, RMSD 0.75 Å
- 6YTI chain A against the predicted model P49759: TM-score 0.99, RMSD 0.81 Å
- 6KHD chain C against the predicted model P49759: TM-score 0.99, RMSD 0.83 Å
- 6KHD chain C against the predicted model P49759: TM-score 0.99, RMSD 0.83 Å
- 7O9Y chain A against the predicted model P49759: TM-score 0.99, RMSD 0.81 Å
Elsewhere
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