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Chimeric pol kappa rir REV1 C-terminal domain in complex with JHRE06

Analyse Chimeric pol kappa rir REV1 C-terminal domain in complex with JHRE06 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6C8C
Type
protein
Length
233 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chimeric protein of the pol kappa rir helix and the REV1 C- terminal domain
EC
2.7.7.7, 2.7.7.-
UniProt
Q9QUG2, Q920Q2
Ligands
EQ7
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 65% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChimeric protein of the pol kappa rir helix and the REV1 C- terminal domain (EC 2.7.7.7, 2.7.7.-)protein11963% helix, 4% strandQ9QUG2, Q920Q2
BChimeric protein of the pol kappa rir helix and the REV1 C- terminal domain (EC 2.7.7.7, 2.7.7.-)protein11468% helix, 4% strandQ9QUG2, Q920Q2

Ligands and binding sites

  • EQ7 · 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one · ligand · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12550.700.8427EQ7

Interfaces

1 interface between chains.

  • A–B · 612 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6C8C · Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q920Q2 · AlphaFold monomer V2.0 prediction for DNA repair protein REV1 (Q920Q2) · a predicted model of the same protein · chain B against A, TM-score 0.82
  • Q9QUG2 · AlphaFold monomer V2.0 prediction for DNA polymerase kappa (Q9QUG2) · a predicted model of the same protein · chain A against A, TM-score 0.36

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