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Crystal structure of the complex between human nonsense mediated decay factors UPF1 and UPF2

Analyse Crystal structure of the complex between human 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
2WJV
Type
protein
Length
1,654 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Regulator of nonsense transcripts 1; Regulator of nonsense transcripts 2
EC
3.6.1.-
UniProt
Q92900, Q9HAU5
Ligands
ZN, SO4
Pockets
18 · best druggability 0.78

Structure

x-ray diffraction · 4 distinct chains · 37% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARegulator of nonsense transcripts 1 (EC 3.6.1.-)protein77236% helix, 18% strandQ92900
BRegulator of nonsense transcripts 1 (EC 3.6.1.-)protein76837% helix, 18% strandQ92900
DRegulator of nonsense transcripts 2protein5444% helix, 26% strandQ9HAU5
ERegulator of nonsense transcripts 2protein6035% helix, 33% strandQ9HAU5

Ligands and binding sites

  • ZN · Zinc ion · metal · 6 copies · chains A, B
  • SO4 · Sulfate ion · ion · 23 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18510.780.8176SO4
27820.760.8071SO4
31660.620.8425SO4
41700.540.7929empty
5890.530.8520empty

Interfaces

3 interfaces between chains.

  • B–E · 1834 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 1760 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 893 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 2WJV · Crystal structure of the complex between human nonsense mediated decay factors UPF1 and… · the same entry in another collection · chain E against E, TM-score 1.00
  • Q92900 · AlphaFold monomer V2.0 prediction for regulator of nonsense transcripts 1 (Q92900) · a predicted model of the same protein · chain A against A, TM-score 0.76
  • Q9HAU5 · AlphaFold monomer V2.0 prediction for regulator of nonsense transcripts 2 (Q9HAU5) · a predicted model of the same protein · chain E against A, TM-score 0.50

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