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Structure of U2AF65 variant with BRU5C6 DNA

Analyse Structure of U2AF65 variant with BRU5C6 DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VAJ
Type
protein + DNA
Length
362 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Splicing factor U2AF 65 kda subunit; DNA (5'-D(*UP*UP*UP*UP*(BRU)P*CP*U)-3')
UniProt
P26368
Ligands
CPQ, SO4
Pockets
3 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSplicing factor U2AF 65 kda subunitprotein17424% helix, 31% strandP26368
P, EDNA (5'-D(*UP*UP*UP*UP*(BRU)P*CP*U)-3')dna7——

Ligands and binding sites

  • CPQ · N,N-bis(3-D-gluconamidopropyl)deoxycholamide · ligand · chains B
  • SO4 · Sulfate ion · ion · 6 copies · chains A, P, B
  • DIO · 1,4-diethylene dioxide · additive · 5 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1850.420.7922empty
2860.400.7828empty
31080.360.7416SO4

Interfaces

4 interfaces between chains.

  • B–E · 543 Ų buried · 17 hydrogen bonds · protein-nucleic
  • A–P · 540 Ų buried · 17 hydrogen bonds · protein-nucleic
  • B–P · 483 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–B · 326 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 3VAJ · Structure of U2AF65 variant with BrU5C6 DNA · the same entry in another collection · chain A against A, TM-score 1.00
  • P26368 · AlphaFold monomer V2.0 prediction for splicing factor U2AF 65 kda subunit (P26368) · a predicted model of the same protein · chain A against A, TM-score 0.54

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