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Solution structure of sumo dimer in complex with SIM2-3 from RNF4

Analyse Solution structure of sumo dimer in complex with SIM2-3 from RNF4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2MP2
Type
protein
Length
197 residues
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small ubiquitin-related modifier 3; E3 ubiquitin-protein ligase RNF4
UniProt
P55854, Q9QZS2
Pockets
1 · best druggability 0.41

Structure

solution nmr · 3 distinct chains · 14% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASmall ubiquitin-related modifier 3protein8216% helix, 26% strandP55854
BSmall ubiquitin-related modifier 3protein9017% helix, 21% strandP55854
CE3 ubiquitin-protein ligase RNF4protein250% helix, 0% strandQ9QZS2

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1730.410.8017empty

Interfaces

3 interfaces between chains.

  • A–C · 728 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 606 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 264 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 isopeptide (isopeptide).

Compared structures

  • 2MP2 · Solution structure of SUMO dimer in complex with SIM2-3 from RNF4 · the same entry in another collection · chain A against A, TM-score 1.00
  • P55854 · AlphaFold monomer V2.0 prediction for small ubiquitin-related modifier 3 (P55854) · a predicted model of the same protein · chain A against A, TM-score 0.78
  • Q9QZS2 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase RNF4 (Q9QZS2) · a predicted model of the same protein · chain C against A, TM-score 0.18

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