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Solution structure of mlkl executioner domain in complex with a fragment

Analyse Solution structure of mlkl executioner domain in complex with a fragment in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7NM4
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
UniProt: Q8NB16
Ligands: UJ8
Pockets: 2 · best druggability 0.56

Structure

solution nmr · 1 distinct chain · 74% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mixed lineage kinase domain-like protein	protein	157	74% helix, 0% strand	Q8NB16

Ligands and binding sites

UJ8 · (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl) methanol · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	164	0.56	0.81	23	UJ8
2	145	0.49	0.78	16	empty

Compared structures

7NM4 · Solution structure of MLKL executioner domain in complex with a fragment · 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 0.83

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 7NM4 · PDBe 7NM4 · UniProt Q8NB16

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