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X-ray structure of the non-covalent complex between UBCH5A and ubiquitin

Analyse X-ray structure of the non-covalent complex between UBCH5A and ubiquitin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PTF
Type
protein
Length
452 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-conjugating enzyme E2 D1; Polyubiquitin-B
EC
6.3.2.19
UniProt
P51668, P0CG47
Pockets
7 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 34% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin-conjugating enzyme E2 D1 (EC 6.3.2.19)protein15339% helix, 17% strandP51668
BUbiquitin-conjugating enzyme E2 D1 (EC 6.3.2.19)protein15239% helix, 18% strandP51668
CPolyubiquitin-Bprotein7325% helix, 34% strandP0CG47
DPolyubiquitin-Bprotein7420% helix, 36% strandP0CG47

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12070.650.8434empty
21600.560.8126empty
31440.550.8125empty
41860.520.7824empty
51120.500.8028empty

Interfaces

4 interfaces between chains.

  • A–C · 665 Ų buried · 7 hydrogen bonds · protein-protein
  • B–D · 626 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 483 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 134 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 3PTF · X-ray structure of the non-covalent complex between UbcH5A and Ubiquitin · the same entry in another collection · chain A against A, TM-score 1.00
  • P51668 · AlphaFold monomer V2.0 prediction for ubiquitin-conjugating enzyme E2 D1 (P51668) · a predicted model of the same protein · chain B against A, TM-score 0.95

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