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RNF4 - UBCH5A - ubiquitin heterotrimeric complex

Analyse RNF4 - UBCH5A - ubiquitin heterotrimeric complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4AP4
Type
protein
Length
580 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
E3 ubiquitin ligase RNF4; Ubiquitin-conjugating enzyme E2 D1; Ubiquitin C
EC
6.3.2.-, 6.3.2.19
UniProt
O88846, P51668, F5H7Y5
Ligands
ZN
Pockets
7 · best druggability 0.75

Structure

x-ray diffraction · 5 distinct chains · 31% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AE3 ubiquitin ligase RNF4 (EC 6.3.2.-)protein12926% helix, 24% strandO88846
BUbiquitin-conjugating enzyme E2 D1 (EC 6.3.2.19)protein15136% helix, 18% strandP51668
CUbiquitin Cprotein7624% helix, 34% strandF5H7Y5
EUbiquitin-conjugating enzyme E2 D1 (EC 6.3.2.19)protein14736% helix, 18% strandP51668
FUbiquitin Cprotein7723% helix, 36% strandF5H7Y5

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14170.750.8566empty
24760.740.8364empty
3560.400.8117empty
4770.360.7719empty
5910.350.7517empty

Interfaces

6 interfaces between chains.

  • E–F · 947 Ų buried · 19 hydrogen bonds · protein-protein
  • B–C · 931 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 610 Ų buried · 6 hydrogen bonds · protein-protein
  • A–F · 513 Ų buried · 6 hydrogen bonds · protein-protein
  • A–E · 501 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 isopeptide (isopeptide).

Compared structures

  • 4AP4 · Rnf4 - ubch5a - ubiquitin heterotrimeric complex · the same entry in another collection · chain C against C, 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 E against A, TM-score 0.97
  • O88846 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase RNF4 (O88846) · a predicted model of the same protein · chain A against A, TM-score 0.49

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