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Crystal structure of BAG6-UBL4A complex

Analyse Crystal structure of BAG6-UBL4A complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4X86
Type
protein
Length
107 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-like protein 4A; Large proline-rich protein BAG6
UniProt
P11441, P46379
Ligands
CPS, SO4
Pockets
4 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin-like protein 4Aprotein5186% helix, 0% strandP11441
BLarge proline-rich protein BAG6protein5670% helix, 0% strandP46379

Ligands and binding sites

  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · chains A, B
  • 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

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.470.8418empty
2960.370.7412CPS, SO4
3500.310.7713SO4
4590.290.7511empty

Interfaces

1 interface between chains.

  • A–B · 1262 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 4X86 · Crystal structure of BAG6-Ubl4a complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P46379 · AlphaFold monomer V2.0 prediction for large proline-rich protein BAG6 (P46379) · a predicted model of the same protein · chain B against A, TM-score 0.84
  • P11441 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein 4A (P11441) · a predicted model of the same protein · chain A against A, TM-score 0.80

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