UniProt P29678
Dual specificity mitogen-activated protein kinase kinase 1 (P29678)
Dual specificity mitogen-activated protein kinase kinase 1 (UniProt P29678), EC 2.7.12.2: 20 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 28 pockets. Binding sites, druggability and experiment…
- UniProt
- P29678
- Protein
- Dual specificity mitogen-activated protein kinase kinase 1
- EC
- 2.7.12.2
- Experimental structures
- 20
- Predicted models
- 1
- Ligands
- 9
- Pockets
- 28 · 6 records with a druggable one
Structures
21 records of P29678 in the MolNFT archive: 20 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2Y4I | KSR2-MEK1 heterodimer | x-ray diffraction | C | — | — |
| 2Y4I | KSR2-MEK1 heterodimer | x-ray diffraction | C | — | — |
| 5KKR | KSR2:MEK1 Complex Bound to the Small Molecule APS-2-79 | x-ray diffraction | C | — | 4 (best 0.81) |
| 5KKR | KSR2:MEK1 complex bound to the small molecule aps-2-79 | x-ray diffraction | C | — | — |
| 7JUQ | Crystal structure of KSR2:MEK1 in complex with ADP | x-ray diffraction | C | ADP | — |
| 7JUR | Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib | x-ray diffraction | C | ANP, QOM, MG | 6 (best 0.82) |
| 7JUR | Crystal structure of KSR2:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor trametinib | x-ray diffraction | C | ANP, QOM, MG | — |
| 7JUS | Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib | x-ray diffraction | C | VKD, ANP, MG | 3 (best 0.79) |
| 7JUS | Crystal structure of KSR2:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor cobimetinib | x-ray diffraction | C | VKD, ANP, MG | — |
| 7JUT | Crystal structure of KSR2:MEK1 in complex with anp-pnp, and allosteric MEK inhibitor selumetinib | x-ray diffraction | C | ANP, 3EW | — |
| 7JUU | Crystal structure of KSR2:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor PD0325901 | x-ray diffraction | C | ANP, 4BM, MG | — |
| 7JUV | Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1 | x-ray diffraction | C | ANP, VKG, MG | 5 (best 0.82) |
| 7JUV | Crystal structure of KSR2:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor aps-9-95-1 | x-ray diffraction | C | ANP, VKG, MG | — |
| 7JUW | Crystal structure of KSR1:MEK1 in complex with AMP-pnp | x-ray diffraction | C | ANP, MG | — |
| 7JUX | Crystal structure of KSR1:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor trametinib | x-ray diffraction | C | ANP, QOM | — |
| 7JUY | Crystal structure of KSR1:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor cobimetinib | x-ray diffraction | C | ANP, EUI, MG | — |
| 7JUZ | Crystal structure of KSR1:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor selumetinib | x-ray diffraction | C | ANP, 3EW | — |
| 7JV0 | Crystal structure of KSR1:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor PD0325901 | x-ray diffraction | C | ANP, 4BM | — |
| 7JV1 | Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1 | x-ray diffraction | C | ANP, VKG | 5 (best 0.83) |
| 7JV1 | Crystal structure of KSR1:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor aps-9-95-1 | x-ray diffraction | C | ANP, VKG | — |
| P29678 | AlphaFold monomer V2.0 prediction for dual specificity mitogen- activated protein kinase kinase 1… | predicted | A | — | 5 (best 0.77) |
Ligands
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 15 records
- MG · Magnesium ion · in 9 records
- VKG · N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6, 8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide · in 4 records
- QOM · Trametinib · in 3 records
- 3EW · 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide · in 2 records
- 4BM · N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide · in 2 records
- VKD · Cobimetinib · in 2 records
- ADP · Adenosine-5'-diphosphate · in 1 record
- EUI · [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl) amino]phenyl]-[3-oxidanyl-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone · in 1 record
Experiment against prediction
- 7JUU chain C against the predicted model P29678: TM-score 0.98, RMSD 1.10 Å
- 7JUV chain C against the predicted model P29678: TM-score 0.98, RMSD 1.13 Å
- 7JUV chain C against the predicted model P29678: TM-score 0.98, RMSD 1.13 Å
- 7JUY chain C against the predicted model P29678: TM-score 0.98, RMSD 1.12 Å
- 7JUS chain C against the predicted model P29678: TM-score 0.98, RMSD 1.15 Å
- 7JUS chain C against the predicted model P29678: TM-score 0.98, RMSD 1.15 Å
- 7JUT chain C against the predicted model P29678: TM-score 0.98, RMSD 1.16 Å
- 7JUR chain C against the predicted model P29678: TM-score 0.98, RMSD 1.17 Å
- 7JUR chain C against the predicted model P29678: TM-score 0.98, RMSD 1.17 Å
- 7JUW chain C against the predicted model P29678: TM-score 0.98, RMSD 1.17 Å
Elsewhere
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