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Human neurofibromin 2/MERLIN residues 1-339 in complex with LATS1

Analyse Human neurofibromin 2/MERLIN residues 1-339 in complex with LATS1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7LWH
Type
protein
Length
338 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Merlin; SERINE/THREONINE-protein kinase LATS1
EC
2.7.11.1
UniProt
P35240, O95835
Pockets
7 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMerlinprotein31540% helix, 21% strandP35240
BSERINE/THREONINE-protein kinase LATS1 (EC 2.7.11.1)protein2374% helix, 4% strandO95835

Ligands and binding sites

  • IMD · Imidazole · additive · 3 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14430.640.7746empty
21240.540.8217empty
3890.470.8124IMD
4540.440.8321empty
51500.410.7427empty

Interfaces

1 interface between chains.

  • A–B · 870 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 7LWH · Human neurofibromin 2/merlin residues 1-339 in complex with LATS1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P35240 · AlphaFold monomer V2.0 prediction for merlin (P35240) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • O95835 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase LATS1 (O95835) · a predicted model of the same protein · chain B against A, TM-score 0.45

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