MolNFT v1 · #172063 · protein
Solution structure of mlkl executioner domain in complex with a covalent inhibitor
6ZPR · Mixed lineage kinase domain-like PROTEIN,MIXED lineage…: “Solution structure of mlkl executioner domain in complex with a covalent inhibitor”. Solution nmr, 1 ligand (QOK), 2 pockets (best druggability 0.47). MolNFT v1 #172063 on…
- PDB
- 6ZPR
- Type
- protein
- Length
- 157 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mixed lineage kinase domain-like PROTEIN,MIXED lineage kinase domain-like protein
- UniProt
- Q8NB16
- Ligands
- QOK
- Pockets
- 2 · best druggability 0.47
Structure
solution nmr · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mixed lineage kinase domain-like PROTEIN,MIXED lineage kinase domain-like protein | protein | 157 | 71% helix, 0% strand | Q8NB16 |
Ligands and binding sites
- QOK · 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.47 | 0.81 | 18 | empty |
| 2 | 101 | 0.45 | 0.79 | 18 | QOK |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6ZPR · Solution structure of MLKL executioner domain in complex with a covalent inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NB16 · AlphaFold monomer V2.0 prediction for mixed lineage kinase domain- like protein (Q8NB16) · a predicted model of the same protein · chain A against A, TM-score 0.79
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8NB16
- Elsewhere: RCSB PDB 6ZPR · PDBe 6ZPR · UniProt Q8NB16
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.