GL1X · GenesisL1 explorer

MolNFT v1 · #122120 · protein

Structure of the stable UBE2D3-ubdha conjugate

5IFR · Ubiquitin-conjugating enzyme E2 D3: “Structure of the stable UBE2D3-ubdha conjugate”. X-ray diffraction, 1 pocket (best druggability 0.54). MolNFT v1 #122120 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5IFR
Type
protein
Length
227 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-conjugating enzyme E2 D3; Polyubiquitin-B
EC
2.3.2.23, 2.3.2.24
UniProt
P61077, P0CG47
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin-conjugating enzyme E2 D3 (EC 2.3.2.23, 2.3.2.24)protein15138% helix, 18% strandP61077
BPolyubiquitin-Bprotein7620% helix, 33% strandP0CG47

Ligands and binding sites

  • GOL · Glycerol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11520.540.8027empty

Interfaces

1 interface between chains.

  • A–B · 400 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 5IFR · Structure of the stable UBE2D3-UbDha conjugate · the same entry in another collection · chain A against A, TM-score 1.00
  • P61077 · AlphaFold monomer V2.0 prediction for ubiquitin-conjugating enzyme E2 D3 (P61077) · a predicted model of the same protein · chain A against A, TM-score 0.96

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