UniProt P49761
Dual specificity protein kinase CLK3 (P49761)
Dual specificity protein kinase CLK3 (UniProt P49761), EC 2.7.12.1: 28 experimental structures and 1 predicted model on GenesisL1, 18 ligands bound, 2 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P49761
- Protein
- Dual specificity protein kinase CLK3
- EC
- 2.7.12.1
- Experimental structures
- 28
- Predicted models
- 1
- Ligands
- 18
- Pockets
- 2 · 1 record with a druggable one
Structures
29 records of P49761 in the MolNFT archive: 28 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2EU9 | Crystal Structure of CLK3 | x-ray diffraction | A | — | — |
| 2EU9 | Crystal structure of CLK3 | x-ray diffraction | A | — | — |
| 2EXE | Crystal structure of the phosphorylated CLK3 | x-ray diffraction | A | — | — |
| 2EXE | Crystal structure of the phosphorylated CLK3 | x-ray diffraction | A | — | — |
| 2WU6 | Crystal Structure of the Human CLK3 in complex with DKI | x-ray diffraction | A | — | — |
| 2WU6 | Crystal structure of the human CLK3 in complex with dki | x-ray diffraction | A | — | — |
| 2WU7 | Crystal Structure of the Human CLK3 in complex with V25 | x-ray diffraction | A | — | — |
| 2WU7 | Crystal structure of the human CLK3 in complex with V25 | x-ray diffraction | A | — | — |
| 3RAW | Crystal Structure of human CDC-like kinase 3 isoform in complex with leucettine L41 | x-ray diffraction | A, B | — | — |
| 3RAW | Crystal structure of human cdc-like kinase 3 isoform in complex with leucettine L41 | x-ray diffraction | A, B | — | — |
| 6FT7 | Crystal structure of CLK3 in complex with compound 8A | x-ray diffraction | A, B | IOD, E6Q | — |
| 6FYP | X-ray structure of CLK3-KD(GP-[275-632], non-PHOS.)/CX-4945 at 2.29A | x-ray diffraction | A | 3NG | — |
| 6FYR | X-ray structure of CLK3-KD(GP-[275-632], non-PHOS.)/CPD-2 at 1.42A | x-ray diffraction | A | EAQ | — |
| 6KHF | Crystal structure of CLK3 in complex with CX-4945 | x-ray diffraction | A | 3NG | — |
| 6KHF | Crystal structure of CLK3 in complex with cx-4945 | x-ray diffraction | A | 3NG | — |
| 6RCT | Crystal structure of CLK3 in complex with T3-clk | x-ray diffraction | A, B | JWN | — |
| 6YTW | CLK3 bound with benzothiazole Tg003 (Cpd 2) | x-ray diffraction | A, B | CL, PO4, EAE | — |
| 6YTW | CLK3 bound with benzothiazole TG003 (cpd 2) | x-ray diffraction | A, B | CL, PO4, EAE | — |
| 6YTY | CLK3 A319V mutant bound with benzothiazole TG003 (cpd 2) | x-ray diffraction | A | EAE | — |
| 6YU1 | CLK3 bound with beta-carboline KH-CARB13 (Cpd 3) | x-ray diffraction | a, c | PO4, KHC | — |
| 6YU1 | CLK3 bound with beta-carboline kh-CARB13 (cpd 3) | x-ray diffraction | a, c | PO4, KHC | — |
| 6Z2V | CLK3 A319V mutant bound with beta-carboline kh-CARB13 (cpd 3) | x-ray diffraction | A | KHC, K | — |
| 6Z51 | Crystal structure of CLK3 in complex with macrocycle ODS2002941 | x-ray diffraction | A | PO4, Q8B | — |
| 6Z52 | Crystal structure of CLK3 in complex with macrocycle ODS2003136 | x-ray diffraction | A, B | CL, IOD, Q8T | — |
| 6Z53 | Crystal structure of CLK3 in complex with macrocycle ODS2003128 | x-ray diffraction | A | PO4, Q7Z | — |
| 6Z54 | Crystal structure of CLK3 in complex with macrocycle ODS2003178 | x-ray diffraction | A | PO4, Q7H | — |
| 6Z55 | Crystal structure of CLK3 in complex with macrocycle ODS2004070 | x-ray diffraction | A, B | PO4, NA, PQ5 | — |
| 9EZ3 | Crystal structure of human CLK3 bound to RN129 | x-ray diffraction | A | SO4, A1H74 | 2 (best 0.71) |
| P49761 | AlphaFold monomer V2.0 prediction for dual specificity protein kinase CLK3 (P49761) | predicted | A | — | — |
Ligands
- PO4 · Phosphate ion · in 8 records
- 3NG · 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid · in 3 records
- CL · Chloride ion · in 3 records
- EAE · (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one · in 3 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 3 records
- IOD · Iodide ion · in 2 records
- A1H74 · 1-(5-~{tert}-butyl-2-quinolin-6-yl-pyrazol-3-yl)-3-[3-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]urea · in 1 record
- E6Q · 3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one · 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
- JWN · 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide · in 1 record
- K · Potassium ion · in 1 record
- NA · Sodium ion · in 1 record
- PQ5 · 7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12, 6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid · in 1 record
- Q7H · 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23), 3(25),4,6,17,20(24),21-heptaen-10-one · in 1 record
- Q7Z · 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21, 23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one · in 1 record
- Q8B · N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15, 19,21,23-hexazatetracyclo[15.6.1.13,7.020, 24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide · in 1 record
- Q8T · 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11, 15,19,21,23-hexazatetracyclo[15.6.1.13,7.020, 24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one · in 1 record
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 6KHF chain A against the predicted model P49761: TM-score 0.99, RMSD 0.55 Å
- 6KHF chain A against the predicted model P49761: TM-score 0.99, RMSD 0.55 Å
- 6Z2V chain A against the predicted model P49761: TM-score 0.99, RMSD 0.64 Å
- 2EXE chain A against the predicted model P49761: TM-score 0.99, RMSD 0.60 Å
- 2EXE chain A against the predicted model P49761: TM-score 0.99, RMSD 0.60 Å
- 6YTW chain B against the predicted model P49761: TM-score 0.99, RMSD 0.68 Å
- 6YTW chain B against the predicted model P49761: TM-score 0.99, RMSD 0.68 Å
- 6YU1 chain a against the predicted model P49761: TM-score 0.99, RMSD 0.74 Å
- 6YU1 chain a against the predicted model P49761: TM-score 0.99, RMSD 0.74 Å
- 2EU9 chain A against the predicted model P49761: TM-score 0.98, RMSD 1.01 Å
Elsewhere
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