Crystal structure of the mutant D75N I-crei in complex with an altered target (the four central bases, 2NN region, are composed by tgca from 5' to 3')

Structure

x-ray diffraction · 3 distinct chains · 52% helix, 20% strand (DSSP).

Ligands and binding sites

• EDO · 1,2-ethanediol · additive · chains A, E, G

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

Pockets

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

Interfaces

6 interfaces between chains.

• E–G · 1109 Ų buried · 94 hydrogen bonds · nucleic-nucleic
• A–B · 1017 Ų buried · 8 hydrogen bonds · protein-protein
• A–E · 931 Ų buried · 18 hydrogen bonds · protein-nucleic
• B–G · 886 Ų buried · 16 hydrogen bonds · protein-nucleic
• A–G · 789 Ų buried · 14 hydrogen bonds · protein-nucleic

Compared structures

• 4AAF · Crystal structure of the mutant D75N I-CreI in complex with an altered target (The four… · the same entry in another collection · chain G against G, TM-score 1.00
• P05725 · AlphaFold monomer V2.0 prediction for DNA endonuclease I-crei (P05725) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P05725
• Elsewhere: RCSB PDB 4AAF · PDBe 4AAF · UniProt P05725