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The structural basis of the interaction between nonsense mediated decay factors UPF2 and UPF3

Analyse The structural basis of the interaction between nonsense mediated decay factors… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1UW4
Type
protein
Length
678 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
UPF3X; Regulator of nonsense transcripts 2
UniProt
Q9BZI7, Q9HAU5
Pockets
5 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CUPF3Xprotein9120% helix, 35% strandQ9BZI7
B, DRegulator of nonsense transcripts 2protein24871% helix, 0% strandQ9HAU5

Ligands and binding sites

  • BME · Beta-mercaptoethanol · additive · 2 copies · chains B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19610.830.8497empty
21380.410.7529BME
3780.350.7620empty
41010.330.7321empty
5540.290.749empty

Interfaces

5 interfaces between chains.

  • A–B · 1117 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 1111 Ų buried · 21 hydrogen bonds · protein-protein
  • B–D · 819 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 237 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 236 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (additive adduct).

Compared structures

  • 1UW4 · The structural basis of the interaction between nonsense mediated decay factors UPF2 and… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HAU5 · AlphaFold monomer V2.0 prediction for regulator of nonsense transcripts 2 (Q9HAU5) · a predicted model of the same protein · chain B against A, TM-score 1.00
  • Q9BZI7 · AlphaFold monomer V2.0 prediction for regulator of nonsense transcripts 3B (Q9BZI7) · a predicted model of the same protein · chain A against A, TM-score 0.96

Analyse

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