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RNF12 ring domain in complex with a UBE2D2~UB conjugate

Analyse RNF12 ring domain in complex with a UBE2D2~UB conjugate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6W9D
Type
protein
Length
854 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-conjugating enzyme E2 D2; E3 ubiquitin-protein ligase rlim; Ubiquitin
EC
2.3.2.23, 2.3.2.24, 2.3.2.27
UniProt
P62837, Q9NVW2, P0CG48
Ligands
ZN, IOD
Pockets
9 · best druggability 0.67

Structure

x-ray diffraction · 6 distinct chains · 29% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DUbiquitin-conjugating enzyme E2 D2 (EC 2.3.2.23, 2.3.2.24)protein14836% helix, 18% strandP62837
BE3 ubiquitin-protein ligase rlim (EC 2.3.2.27)protein6219% helix, 21% strandQ9NVW2
C, IUbiquitinprotein7225% helix, 33% strandP0CG48
E, HE3 ubiquitin-protein ligase rlim (EC 2.3.2.27)protein6718% helix, 22% strandQ9NVW2
FUbiquitinprotein7027% helix, 31% strandP0CG48
GUbiquitin-conjugating enzyme E2 D2 (EC 2.3.2.23, 2.3.2.24)protein14836% helix, 18% strandP62837

Ligands and binding sites

  • ZN · Zinc ion · metal · 6 copies · chains B, E, H
  • IOD · Iodide ion · ion · 8 copies · chains B, C, D, E, F, G, H, I

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15520.670.7863IOD
21680.600.8334IOD
31720.600.8233IOD
43290.570.7651empty
52690.540.7646empty

Interfaces

12 interfaces between chains.

  • G–H · 631 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 610 Ų buried · 5 hydrogen bonds · protein-protein
  • D–E · 599 Ų buried · 4 hydrogen bonds · protein-protein
  • G–I · 594 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 584 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6W9D · RNF12 RING domain in complex with a Ube2d2~Ub conjugate · the same entry in another collection · chain I against I, TM-score 1.00
  • Q9NVW2 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase rlim (Q9NVW2) · a predicted model of the same protein · chain B against A, TM-score 0.92

Analyse

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