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Structure of merlin-ferm and ctd

Analyse Structure of merlin-ferm and ctd in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZRJ
Type
protein
Length
379 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Merlin
UniProt
P35240
Pockets
4 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMerlinprotein30237% helix, 24% strandP35240
BMerlinprotein7782% helix, 1% strandP35240

Ligands and binding sites

  • GOL · Glycerol · additive · 8 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12760.610.7927GOL
21740.580.8236GOL
33380.580.7635empty
4690.350.7614empty

Interfaces

1 interface between chains.

  • A–B · 1996 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 4ZRJ · Structure of Merlin-FERM and CTD · 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 0.97

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