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Crystal structure of RAD4-RAD23 crosslinked to an undamaged DNA

Analyse Crystal structure of RAD4-RAD23 crosslinked to an undamaged DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4YIR
Type
protein + DNA
Length
598 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA repair protein RAD4; UV excision repair protein RAD23; DNA…
UniProt
P14736, P32628
Pockets
7 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 42% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA repair protein RAD4protein49938% helix, 20% strandP14736
XUV excision repair protein RAD23protein5381% helix, 0% strandP32628
WDNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47) P*AP*CP*AP*TP*CP*CP*CP*CP*CP*GP*CP*TP*AP*CP*AP*A)-3')dna24——
YDNA (5'- D(*AP*TP*TP*GP*TP*AP*GP*CP*G*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A )-3')dna22——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110350.800.8289empty
22990.680.8337empty
32840.550.7624empty
41090.430.7813empty
5930.410.7815empty

Interfaces

4 interfaces between chains.

  • A–X · 1459 Ų buried · 11 hydrogen bonds · protein-protein
  • A–W · 1176 Ų buried · 8 hydrogen bonds · protein-nucleic
  • W–Y · 1007 Ų buried · 93 hydrogen bonds · nucleic-nucleic
  • A–Y · 705 Ų buried · 9 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 4YIR · Crystal structure of Rad4-Rad23 crosslinked to an undamaged DNA · the same entry in another collection · chain A against A, TM-score 1.00
  • P14736 · AlphaFold monomer V2.0 prediction for DNA repair protein RAD4 (P14736) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • P32628 · AlphaFold monomer V2.0 prediction for UV excision repair protein RAD23 (P32628) · a predicted model of the same protein · chain X against A, TM-score 0.91

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