UniProt P51955
Serine/threonine-protein kinase Nek2 (P51955)
Serine/threonine-protein kinase Nek2 (UniProt P51955), EC 2.7.11.1: 60 experimental structures and 1 predicted model on GenesisL1, 13 ligands bound, 19 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P51955
- Protein
- Serine/threonine-protein kinase Nek2
- EC
- 2.7.11.1
- Experimental structures
- 60
- Predicted models
- 1
- Ligands
- 13
- Pockets
- 19 · 8 records with a druggable one
Structures
61 records of P51955 in the MolNFT archive: 60 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2JAV | Human Kinase with pyrrole-indoli ligand | x-ray diffraction | A | — | — |
| 2JAV | Human kinase with pyrrole-indolinone ligand | x-ray diffraction | A | — | — |
| 2W5A | Human Nek2 kinase ADP-bound | x-ray diffraction | A | — | — |
| 2W5A | Human NEK2 kinase ADP-bound | x-ray diffraction | A | — | — |
| 2W5B | Human Nek2 kinase ATPgammaS-bound | x-ray diffraction | A | — | — |
| 2W5B | Human NEK2 kinase atpgammas-bound | x-ray diffraction | A | — | — |
| 2W5H | Human Nek2 kinase Apo | x-ray diffraction | A | — | — |
| 2W5H | Human NEK2 kinase apo | x-ray diffraction | A | — | — |
| 2WQO | Structure of NEK2 bound to the aminopyridine CCT241950 | x-ray diffraction | A | — | — |
| 2WQO | Structure of NEK2 bound to the aminopyridine CCT241950 | x-ray diffraction | A | — | — |
| 2XK3 | Structure of Nek2 bound to Aminopyrazine compound 35 | x-ray diffraction | A | — | — |
| 2XK3 | Structure of NEK2 bound to aminopyrazine compound 35 | x-ray diffraction | A | — | — |
| 2XK4 | Structure of Nek2 bound to aminopyrazine compound 17 | x-ray diffraction | A | — | — |
| 2XK4 | Structure of NEK2 bound to aminopyrazine compound 17 | x-ray diffraction | A | — | — |
| 2XK6 | Structure of Nek2 bound to aminopyrazine compound 36 | x-ray diffraction | A | — | — |
| 2XK6 | Structure of NEK2 bound to aminopyrazine compound 36 | x-ray diffraction | A | — | — |
| 2XK7 | Structure of Nek2 bound to aminopyrazine compound 23 | x-ray diffraction | A | — | — |
| 2XK7 | Structure of NEK2 bound to aminopyrazine compound 23 | x-ray diffraction | A | — | — |
| 2XK8 | Structure of Nek2 bound to aminopyrazine compound 15 | x-ray diffraction | A | — | — |
| 2XK8 | Structure of NEK2 bound to aminopyrazine compound 15 | x-ray diffraction | A | — | — |
| 2XKC | Structure of Nek2 bound to aminopyrazine compound 14 | x-ray diffraction | A | — | — |
| 2XKC | Structure of NEK2 bound to aminopyrazine compound 14 | x-ray diffraction | A | — | — |
| 2XKD | Structure of Nek2 bound to aminopyrazine compound 12 | x-ray diffraction | A | — | — |
| 2XKD | Structure of NEK2 bound to aminopyrazine compound 12 | x-ray diffraction | A | — | — |
| 2XKE | Structure of Nek2 bound to Aminipyrazine Compound 5 | x-ray diffraction | A | — | — |
| 2XKE | Structure of NEK2 bound to aminipyrazine compound 5 | x-ray diffraction | A | — | — |
| 2XKF | Structure of Nek2 bound to aminopyrazine compound 2 | x-ray diffraction | A | — | — |
| 2XKF | Structure of NEK2 bound to aminopyrazine compound 2 | x-ray diffraction | A | — | — |
| 2XNM | Structure of NEK2 bound to CCT | x-ray diffraction | A | — | — |
| 2XNM | Structure of NEK2 bound to cct | x-ray diffraction | A | — | — |
| 2XNN | Structure of Nek2 bound to CCT242430 | x-ray diffraction | A | — | — |
| 2XNN | Structure of NEK2 bound to CCT242430 | x-ray diffraction | A | — | — |
| 2XNO | Structure of Nek2 bound to CCT243779 | x-ray diffraction | A | — | — |
| 2XNO | Structure of NEK2 bound to CCT243779 | x-ray diffraction | A | — | — |
| 2XNP | Structure of Nek2 bound to CCT244858 | x-ray diffraction | A | — | — |
| 2XNP | Structure of NEK2 bound to CCT244858 | x-ray diffraction | A | — | — |
| 4A4X | NEK2-EDE bound to CCT248662 | x-ray diffraction | A | — | — |
| 4A4X | NEK2-ede bound to CCT248662 | x-ray diffraction | A | — | — |
| 4AFE | Nek2 bound to hybrid compound 21 | x-ray diffraction | A | — | — |
| 4AFE | NEK2 bound to hybrid compound 21 | x-ray diffraction | A | — | — |
| 5M51 | Nek2 bound to arylaminopurine compound 8 | x-ray diffraction | A | NU6 | — |
| 5M51 | NEK2 bound to arylaminopurine compound 8 | x-ray diffraction | A | NU6 | — |
| 5M53 | Nek2 bound to arylaminopurine inhibitor 11 | x-ray diffraction | A | 7GJ, PO4 | 2 (best 0.78) |
| 5M53 | NEK2 bound to arylaminopurine inhibitor 11 | x-ray diffraction | A | 7GJ, PO4 | — |
| 5M55 | Nek2 bound to arylaminopurine 71 | x-ray diffraction | A | 7GG, SO4, CL | — |
| 5M55 | NEK2 bound to arylaminopurine 71 | x-ray diffraction | A | 7GG, SO4, CL | — |
| 5M57 | Nek2 bound to arylaminopurine 6 | x-ray diffraction | A | 4SP | — |
| 5M57 | NEK2 bound to arylaminopurine 6 | x-ray diffraction | A | 4SP | — |
| 6SGD | Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 | x-ray diffraction | A | NA, CL, LD5 | 2 (best 0.61) |
| 6SGD | NEK2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 | x-ray diffraction | A | NA, CL, LD5 | — |
| 6SGH | Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 66 | x-ray diffraction | A | LCW | 2 (best 0.56) |
| 6SGH | NEK2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 66 | x-ray diffraction | A | LCW | — |
| 6SGI | Nek2 kinase bound to inhibitor 96 | x-ray diffraction | A | LCB, CL | 3 (best 0.70) |
| 6SGI | NEK2 kinase bound to inhibitor 96 | x-ray diffraction | A | LCB, CL | — |
| 6SGK | Nek2 kinase bound to inhibitor 102 | x-ray diffraction | A | LCQ | 3 (best 0.62) |
| 6SGK | NEK2 kinase bound to inhibitor 102 | x-ray diffraction | A | LCQ | — |
| 6SK9 | Nek2 bound to purine compound 51 | x-ray diffraction | A | F9N | 2 (best 0.54) |
| 6SK9 | NEK2 bound to purine compound 51 | x-ray diffraction | A | F9N | — |
| 6TM5 | Cryo-EM structure of the Anaphase-promoting complex/Cyclosome, in complex with the Nek2A substrate… | electron microscopy | S, Q | — | 2 (best 0.86) |
| 6TM5 | Cryo-EM structure of the anaphase-promoting COMPLEX/CYCLOSOME, in complex with the NEK2A substrate… | electron microscopy | S, Q | — | — |
1 record more on the page itself.
Ligands
- CL · Chloride ion · in 6 records
- 4SP · O6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine · in 2 records
- 7GG · 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine · in 2 records
- 7GJ · 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}, ~{N}-dimethyl-benzamide · in 2 records
- F9N · 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide · in 2 records
- LCB · 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide · in 2 records
- LCQ · 2-phenylazanyl-9~{H}-purine-6-carbonitrile · in 2 records
- LCW · 2-[4-[(6-ethenyl-9~{H}-purin-2-yl) amino]phenyl]ethanamide · in 2 records
- LD5 · 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide · in 2 records
- NA · Sodium ion · in 2 records
- NU6 · 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide · in 2 records
- PO4 · Phosphate ion · in 2 records
- SO4 · Sulfate ion · in 2 records
Experiment against prediction
- 6TM5 chain Q against the predicted model P51955: TM-score 1.00, RMSD 0.00 Å
- 6TM5 chain Q against the predicted model P51955: TM-score 1.00, RMSD 0.00 Å
- 6SGK chain A against the predicted model P51955: TM-score 0.97, RMSD 1.24 Å
- 6SGK chain A against the predicted model P51955: TM-score 0.97, RMSD 1.24 Å
- 6SGI chain A against the predicted model P51955: TM-score 0.97, RMSD 1.36 Å
- 6SGI chain A against the predicted model P51955: TM-score 0.97, RMSD 1.36 Å
- 6SGD chain A against the predicted model P51955: TM-score 0.97, RMSD 1.25 Å
- 6SGD chain A against the predicted model P51955: TM-score 0.97, RMSD 1.25 Å
- 6SGH chain A against the predicted model P51955: TM-score 0.96, RMSD 1.29 Å
- 6SGH chain A against the predicted model P51955: TM-score 0.96, RMSD 1.29 Å
Elsewhere
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