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MolNFT v1 · #183333 · protein

Solution structure of mlkl executioner domain in complex with a fragment

7NM2 · Mixed lineage kinase domain-like protein: “Solution structure of mlkl executioner domain in complex with a fragment”. Solution nmr, 1 ligand (UJ5), 1 pocket (best druggability 0.58). MolNFT v1 #183333 on GenesisL1: 3D structure…

PDB
7NM2
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
UJ5
Pockets
1 · best druggability 0.58

Structure

solution nmr · 1 distinct chain · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMixed lineage kinase domain-like proteinprotein15770% helix, 0% strandQ8NB16

Ligands and binding sites

  • UJ5 · 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11090.580.8521UJ5

Compared structures

  • 7NM2 · 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

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