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Crystal structure of the filamin a repeat 21 complexed with the migfilin peptide

Analyse Crystal structure of the filamin a repeat 21 complexed with the migfilin peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2W0P
Type
protein
Length
196 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Filamin-a; Filamin-binding lim protein 1
UniProt
P21333, Q8WUP2
Ligands
SO4
Pockets
2 · best druggability 0.50

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFilamin-aprotein9310% helix, 51% strandP21333
BFilamin-aprotein946% helix, 50% strandP21333
CFilamin-binding lim protein 1protein90% helix, 78% strandQ8WUP2

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11430.500.7927empty
2930.360.7518empty

Interfaces

3 interfaces between chains.

  • A–C · 545 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 480 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 367 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 2W0P · Crystal structure of the filamin A repeat 21 complexed with the migfilin peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • P21333 · AlphaFold monomer V2.0 prediction for filamin-a (P21333) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q8WUP2 · AlphaFold monomer V2.0 prediction for filamin-binding lim protein 1 (Q8WUP2) · a predicted model of the same protein · chain C against A, TM-score 0.42

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