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Structure of the holliday junction intermediate in cre-loxp site-specific recombination

Analyse Structure of the holliday junction intermediate in cre-loxp site-specific… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2CRX
Type
protein + DNA
Length
683 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA 35-mer; Protein (cre recombinase)
UniProt
P06956
Pockets
11 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 59% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CDNA 35-merdna35——
DDNA 35-merdna34——
AProtein (cre recombinase)protein30560% helix, 6% strandP06956
BProtein (cre recombinase)protein30958% helix, 6% strandP06956

Pockets

11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15790.730.8144empty
24200.650.7947empty
34410.630.7732empty
42340.560.7826empty
52030.470.7523empty

Interfaces

5 interfaces between chains.

  • C–B · 1365 Ų buried · 27 hydrogen bonds · protein-nucleic
  • D–A · 1246 Ų buried · 21 hydrogen bonds · protein-nucleic
  • D–B · 1209 Ų buried · 24 hydrogen bonds · protein-nucleic
  • A–B · 1093 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 773 Ų buried · 63 hydrogen bonds · nucleic-nucleic

Compared structures

  • 2CRX · Structure of the holliday junction intermediate in cre-loxp site-specific recombination · the same entry in another collection · chain C against C, TM-score 1.00

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