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Crystal structure of the human filamin a ig domains 19 to 21

Analyse Crystal structure of the human filamin a ig domains 19 to 21 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2J3S
Type
protein
Length
498 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Filamin-a
UniProt
P21333
Ligands
BR
Pockets
12 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFilamin-aprotein2704% helix, 52% strandP21333
BFilamin-aprotein2285% helix, 51% strandP21333

Ligands and binding sites

  • BR · Bromide ion · ion · 2 copies · chains A, B
  • DIO · 1,4-diethylene dioxide · additive · 4 copies · chains A, B
  • GOL · Glycerol · additive

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13270.630.7946DIO
21010.500.8223empty
3990.500.8224DIO
41840.470.7531empty
51590.460.7624empty

Interfaces

1 interface between chains.

  • A–B · 1133 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 2J3S · Crystal structure of the human filamin A Ig domains 19 to 21 · 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 B against A, TM-score 0.49

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