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Crystal structure of H. polymorpha ubiquitin conjugating enzyme PEX4P in complex with soluble domain of PEX22P

Analyse Crystal structure of H. polymorpha ubiquitin conjugating enzyme PEX4P in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5NKZ
Type
protein
Length
574 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-conjugating enzyme E2-21 kda; Peroxin 22
EC
2.3.2.23
UniProt
O60015, A2T0X6
Pockets
11 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 36% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUbiquitin-conjugating enzyme E2-21 kda (EC 2.3.2.23)protein18236% helix, 17% strandO60015
DPeroxin 22protein10535% helix, 17% strandA2T0X6
CPeroxin 22protein10538% helix, 17% strandA2T0X6

Pockets

11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16900.750.8167empty
21470.540.8122empty
3660.490.8415empty
41060.490.8019empty
51010.390.7623empty

Interfaces

3 interfaces between chains.

  • A–C · 816 Ų buried · 16 hydrogen bonds · protein-protein
  • D–B · 789 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 742 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5NKZ · Crystal structure of H. polymorpha ubiquitin conjugating enzyme Pex4p in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • O60015 · AlphaFold monomer V2.0 prediction for ubiquitin-conjugating enzyme E2-21 kda (O60015) · a predicted model of the same protein · chain A against A, TM-score 0.98

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