GL1X · GenesisL1 explorer

MolNFT v1 · #49204 · protein

Ubiquitin-conjugating enzyme E2Q

2QGX · Ubiquitin-conjugating enzyme E2 Q1: “Ubiquitin-conjugating enzyme E2Q”. X-ray diffraction, 6 pockets (best druggability 0.74). MolNFT v1 #49204 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2QGX
Type
protein
Length
638 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-conjugating enzyme E2 Q1
EC
6.3.2.19
UniProt
Q7Z7E8
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin-conjugating enzyme E2 Q1 (EC 6.3.2.19)protein15640% helix, 20% strandQ7Z7E8
BUbiquitin-conjugating enzyme E2 Q1 (EC 6.3.2.19)protein16140% helix, 19% strandQ7Z7E8
CUbiquitin-conjugating enzyme E2 Q1 (EC 6.3.2.19)protein16140% helix, 19% strandQ7Z7E8
DUbiquitin-conjugating enzyme E2 Q1 (EC 6.3.2.19)protein16041% helix, 19% strandQ7Z7E8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18940.740.7879empty
22870.620.8047empty
3970.450.7922empty
4680.380.7817empty
5710.380.7816empty

Interfaces

5 interfaces between chains.

  • C–D · 761 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 760 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 446 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 374 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 243 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 2QGX · Ubiquitin-conjugating enzyme E2Q · the same entry in another collection · chain D against D, TM-score 1.00
  • Q7Z7E8 · AlphaFold monomer V2.0 prediction for ubiquitin-conjugating enzyme E2 Q1 (Q7Z7E8) · a predicted model of the same protein · chain A against A, TM-score 0.98

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