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A novel conformation for the tpr domain of PEX5P

Analyse A novel conformation for the tpr domain of PEX5P in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2J9Q
Type
protein
Length
569 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peroxisomal targeting signal 1 receptor
UniProt
P50542
Ligands
SR
Pockets
6 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeroxisomal targeting signal 1 receptorprotein30071% helix, 0% strandP50542
BPeroxisomal targeting signal 1 receptorprotein26974% helix, 0% strandP50542

Ligands and binding sites

  • SR · Strontium ion · metal · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110020.850.8698empty
24100.790.8845empty
31910.500.7725empty
41190.470.7923empty
5550.330.7716empty

Interfaces

1 interface between chains.

  • A–B · 1188 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 2J9Q · A novel conformation for the TPR domain of pex5p · the same entry in another collection · chain A against A, TM-score 1.00
  • P50542 · AlphaFold monomer V2.0 prediction for peroxisomal targeting signal 1 receptor (P50542) · a predicted model of the same protein · chain B against A, TM-score 0.86

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