UniProt Q8NB16
Mixed lineage kinase domain-like protein (Q8NB16)
Mixed lineage kinase domain-like protein (UniProt Q8NB16): 37 experimental structures and 1 predicted model on GenesisL1, 11 ligands bound, 37 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q8NB16
- Protein
- Mixed lineage kinase domain-like protein
- Experimental structures
- 37
- Predicted models
- 1
- Ligands
- 11
- Pockets
- 37 · 12 records with a druggable one
Structures
38 records of Q8NB16 in the MolNFT archive: 37 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2MSV | Solution structure of the MLKL N-terminal domain | solution nmr | A | — | — |
| 2MSV | Solution structure of the mlkl N-terminal domain | solution nmr | A | — | — |
| 4M67 | Crystal structure of the human MLKL kinase-like domain | x-ray diffraction | A | — | — |
| 4M67 | Crystal structure of the human mlkl kinase-like domain | x-ray diffraction | A | — | — |
| 4MWI | Crystal structure of the human MLKL pseudokinase domain | x-ray diffraction | A | — | — |
| 4MWI | Crystal structure of the human mlkl pseudokinase domain | x-ray diffraction | A | — | — |
| 5KNJ | Pseudokinase Domain of MLKL bound to Compound 1. | x-ray diffraction | A, B | 6UX | 4 (best 0.71) |
| 5KNJ | Pseudokinase domain of mlkl bound to compound 1. | x-ray diffraction | A, B | 6UX | — |
| 5KO1 | Pseudokinase Domain of MLKL bound to Compound 4. | x-ray diffraction | A | 6UY | 2 (best 0.73) |
| 5KO1 | Pseudokinase domain of mlkl bound to compound 4. | x-ray diffraction | A | 6UY | — |
| 6BWK | Crystal structure of the human mlkl pseudokinase domain T357E/S358E mutant | x-ray diffraction | A | — | — |
| 6D74 | Direct activation of the executioner domain of mlkl by a select repertoire of inositol phosphates | solution nmr | A | — | — |
| 6LK5 | Mlkl mutant - T357ES358D | x-ray diffraction | A | — | — |
| 6LK6 | MLKL mutant - T357AS358A | x-ray diffraction | A | — | 2 (best 0.66) |
| 6LK6 | Mlkl mutant - T357AS358A | x-ray diffraction | A | — | — |
| 6O5Z | Crystal structure of the human mlkl pseudokinase domain bound to compound 2 | x-ray diffraction | A, B | LN4 | — |
| 6UX8 | Structure of monobody 33 MLKL N-terminal domain complex | x-ray diffraction | A | ZN | — |
| 6UX8 | Structure of monobody 33 mlkl N-terminal domain complex | x-ray diffraction | A | ZN | — |
| 6ZLE | Solution structure of unliganded MLKL executioner domain | solution nmr | A | — | 2 (best 0.66) |
| 6ZLE | Solution structure of unliganded mlkl executioner domain | solution nmr | A | — | — |
| 6ZPR | Solution structure of MLKL executioner domain in complex with a covalent inhibitor | solution nmr | A | QOK | 2 (best 0.47) |
| 6ZPR | Solution structure of mlkl executioner domain in complex with a covalent inhibitor | solution nmr | A | QOK | — |
| 6ZVO | Crystal structure of unliganded MLKL executioner domain | x-ray diffraction | A, B, C | CL, BR | 4 (best 0.77) |
| 6ZVO | Crystal structure of unliganded mlkl executioner domain | x-ray diffraction | A, B, C | CL, BR | — |
| 6ZZ1 | Crystal structure of MLKL executioner domain in complex with a covalent inhibitor | x-ray diffraction | A, B | QOK | 5 (best 0.57) |
| 6ZZ1 | Crystal structure of mlkl executioner domain in complex with a covalent inhibitor | x-ray diffraction | A, B | QOK | — |
| 7JW7 | Structure of monobody 27 human mlkl pseudokinase domain complex | x-ray diffraction | A | — | — |
| 7JXU | Structure of monobody 32 human mlkl pseudokinase domain complex | x-ray diffraction | A, B | — | — |
| 7MON | Structure of human RIPK3-MLKL complex | x-ray diffraction | A | ZL1 | 5 (best 0.70) |
| 7MON | Structure of human RIPK3-mlkl complex | x-ray diffraction | A | ZL1 | — |
| 7NM2 | Solution structure of MLKL executioner domain in complex with a fragment | solution nmr | A | UJ5 | 1 (best 0.58) |
| 7NM2 | Solution structure of mlkl executioner domain in complex with a fragment | solution nmr | A | UJ5 | — |
| 7NM4 | Solution structure of MLKL executioner domain in complex with a fragment | solution nmr | A | UJ8 | 2 (best 0.56) |
| 7NM4 | Solution structure of mlkl executioner domain in complex with a fragment | solution nmr | A | UJ8 | — |
| 7NM5 | Solution structure of MLKL executioner domain in complex with a fragment | solution nmr | A | UJ2 | 1 (best 0.65) |
| 7NM5 | Solution structure of mlkl executioner domain in complex with a fragment | solution nmr | A | UJ2 | — |
| 8SLZ | Crystal structure of phosphorylated (T357/S358) human MLKL pseudokinase domain | x-ray diffraction | A | — | 1 (best 0.68) |
| Q8NB16 | AlphaFold monomer V2.0 prediction for mixed lineage kinase domain- like protein (Q8NB16) | predicted | A | — | 6 (best 0.75) |
Ligands
- QOK · 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione · in 4 records
- 6UX · 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea · in 2 records
- 6UY · [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate · in 2 records
- BR · Bromide ion · in 2 records
- CL · Chloride ion · in 2 records
- UJ2 · 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid · in 2 records
- UJ5 · 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid · in 2 records
- UJ8 · (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl) methanol · in 2 records
- ZL1 · N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide · in 2 records
- ZN · Zinc ion · in 2 records
- LN4 · 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea · in 1 record
Experiment against prediction
- 7JXU chain A against the predicted model Q8NB16: TM-score 0.96, RMSD 1.45 Å
- 7MON chain A against the predicted model Q8NB16: TM-score 0.96, RMSD 1.41 Å
- 7MON chain A against the predicted model Q8NB16: TM-score 0.96, RMSD 1.41 Å
- 6ZZ1 chain B against the predicted model Q8NB16: TM-score 0.93, RMSD 1.25 Å
- 6ZZ1 chain B against the predicted model Q8NB16: TM-score 0.93, RMSD 1.25 Å
- 6ZZ1 chain A against the predicted model Q8NB16: TM-score 0.93, RMSD 1.29 Å
- 6ZZ1 chain A against the predicted model Q8NB16: TM-score 0.93, RMSD 1.29 Å
- 6ZVO chain C against the predicted model Q8NB16: TM-score 0.92, RMSD 1.41 Å
- 6ZVO chain C against the predicted model Q8NB16: TM-score 0.92, RMSD 1.41 Å
- 6UX8 chain A against the predicted model Q8NB16: TM-score 0.92, RMSD 1.64 Å
Elsewhere
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