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Common mode of remodeling AAA ATPases p97/CDC48 by their disassembly cofactors ASPL/PUX1

Analyse Common mode of remodeling AAA ATPases p97/CDC48 by their disassembly cofactors… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HD3
Type
protein
Length
885 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.8
Source
Arabidopsis thaliana
Molecule
Cell division control protein 48 homolog A
UniProt
P54609
Ligands
ADP, PO4
Pockets
9 · best druggability 0.76

Structure

x-ray diffraction · resolution 2.8 · 2 distinct chains · 35% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACell division control protein 48 homolog Aprotein45035% helix, 22% strandP54609
CCell division control protein 48 homolog Aprotein43535% helix, 23% strandP54609

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, C
  • PO4 · Phosphate ion · ion · 3 copies · chains A, C

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

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18420.760.8080PO4
22640.620.8134empty
34410.610.7648empty
43900.580.7540empty
52630.530.7527empty

Interfaces

1 interface between chains.

  • A–C · 859 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6HD3 · Common mode of remodeling aaa atpases P97/CDC48 by their disassembly cofactors ASPL/PUX1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P54609 · AlphaFold monomer V2.0 prediction for cell division control protein 48 homolog a (P54609) · a predicted model of the same protein · chain C against A, TM-score 0.71

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