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Crystal structure of the catalytic domain of UCHL5, a proteasome- associated human deubiquitinating enzyme, reveals an unproductive form of the enzyme

Analyse Crystal structure of the catalytic domain of UCHL5, a proteasome- associated… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3RII
Type
protein
Length
426 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin carboxyl-terminal hydrolase isozyme L5
EC
3.4.19.12
UniProt
Q9Y5K5
Ligands
MG
Pockets
6 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin carboxyl-terminal hydrolase isozyme L5 (EC 3.4.19.12)protein21236% helix, 20% strandQ9Y5K5
BUbiquitin carboxyl-terminal hydrolase isozyme L5 (EC 3.4.19.12)protein21436% helix, 20% strandQ9Y5K5

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13230.610.7841EDO
21550.520.8023empty
31100.490.8121empty
4570.380.8011empty
5600.380.8012empty

Interfaces

1 interface between chains.

  • A–B · 300 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 3RII · Crystal structure of the catalytic domain of UCHL5, a proteasome-associated human… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y5K5 · AlphaFold monomer V2.0 prediction for ubiquitin carboxyl-terminal hydrolase isozyme L5… · a predicted model of the same protein · chain A against A, TM-score 0.95

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