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Asymmetric DNA-bending in the cre-loxp site-specific recombination synapse

Analyse Asymmetric DNA-bending in the cre-loxp site-specific recombination synapse in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CRX
Type
protein + DNA
Length
659 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (35-mer); Protein (bacteriophage P1 cre gene)
UniProt
P06956
Pockets
14 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 57% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, DDNA (35-mer)dna33——
AProtein (bacteriophage P1 cre gene)protein29757% helix, 0% strandP06956
BProtein (bacteriophage P1 cre gene)protein29657% helix, 8% strandP06956

Pockets

14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19410.750.7873empty
22790.670.8332empty
33600.650.8031empty
42090.570.8025empty
52740.550.7723empty

Interfaces

6 interfaces between chains.

  • C–D · 1445 Ų buried · 130 hydrogen bonds · nucleic-nucleic
  • C–B · 1358 Ų buried · 28 hydrogen bonds · protein-nucleic
  • D–B · 1291 Ų buried · 27 hydrogen bonds · protein-nucleic
  • D–A · 1199 Ų buried · 23 hydrogen bonds · protein-nucleic
  • C–A · 926 Ų buried · 19 hydrogen bonds · protein-nucleic

Compared structures

  • 5CRX · Asymmetric DNA-bending in the cre-loxp site-specific recombination synapse · the same entry in another collection · chain C against C, TM-score 1.00

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