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Peptide trapped holliday junction intermediate in cre-loxp recombination

Analyse Peptide trapped holliday junction intermediate in cre-loxp recombination in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1XNS
Type
protein + DNA
Length
713 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Loxp DNA; Recombinase cre
UniProt
P06956
Pockets
9 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 57% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CLoxp DNAdna35——
DLoxp DNAdna34——
A, BRecombinase creprotein32257% helix, 3% strandP06956

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18920.840.8699empty
22130.710.8825empty
33220.580.7734empty
41060.560.8418empty
51520.450.7631empty

Interfaces

6 interfaces between chains.

  • A–B · 1799 Ų buried · 28 hydrogen bonds · protein-protein
  • D–B · 1424 Ų buried · 28 hydrogen bonds · protein-nucleic
  • D–A · 1402 Ų buried · 27 hydrogen bonds · protein-nucleic
  • C–A · 1113 Ų buried · 21 hydrogen bonds · protein-nucleic
  • C–D · 732 Ų buried · 82 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1XNS · Peptide trapped Holliday junction intermediate in Cre-loxP recombination · the same entry in another collection · chain C against C, TM-score 1.00

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