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Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in aspl that disrupts functional P97 hexamers and induces cell death

Analyse Quantitative interaction mapping reveals an extended ubiquitin regulatory… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5IFW
Type
protein
Length
885 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tether containing ubx domain for GLUT4; Transitional endoplasmic reticulum ATPase
EC
3.6.4.6
UniProt
Q9BZE9, P55072
Ligands
ADP
Pockets
14 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATether containing ubx domain for GLUT4protein18337% helix, 18% strandQ9BZE9
BTransitional endoplasmic reticulum ATPase (EC 3.6.4.6)protein70241% helix, 19% strandP55072

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains B

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

Pockets

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1530.720.9918empty
24530.710.8149empty
35060.660.7852empty
43000.570.7652ADP
5660.560.8817empty

Interfaces

1 interface between chains.

  • A–B · 2592 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 5IFW · Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9BZE9 · AlphaFold monomer V2.0 prediction for tether containing ubx domain for GLUT4 (Q9BZE9) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

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