› 4aqx

X-ray diffraction
2.2Å resolution

Crystal structure of I-CreI complexed with its target methylated at position plus 2 (in the b strand) in the presence of magnesium

Released:
DOI: 10.2210/pdb4aqx/pdb
PDB 4aqx coloured by chain and viewed from the front.
PDB 4aqx coloured by chain and viewed from the side.
PDB 4aqx coloured by chain and viewed from the top.
Source organisms:
Primary publication:
5'-Cytosine-phosphoguanine (CpG) methylation impacts the activity of natural and engineered meganucleases.
Valton J, Daboussi F, Leduc S, Molina R, Redondo P, Macmaster R, Montoya G, Duchateau P
J. Biol. Chem. 287 30139-50 (2012)
PMID: 22740697

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Entry contents:
1 distinct polypeptide molecule
4 distinct DNA molecules
Macromolecules (5 distinct):
DNA endonuclease I-CreI Chains: A, B
Molecule details ›
Chains: A, B
Length: 152 amino acids
Theoretical weight: 17.52 KDa
Source organism: Chlamydomonas reinhardtii
Expression system: Escherichia coli
UniProt:
  • Canonical: P05725 (Residues: 2-153; Coverage: 93%)
Sequence domains: LAGLIDADG endonuclease
Structure domains: Homing endonucleases
5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP)-3' Chain: C
Molecule details ›
Chain: C
Length: 14 nucleotides
Theoretical weight: 4.29 KDa
Source organism: synthetic construct
Expression system: Not provided
5'-D(*GP*AP*CP*AP*GP*TP*TP*TP*GP*GP)-3' Chain: D
Molecule details ›
Chain: D
Length: 10 nucleotides
Theoretical weight: 3.1 KDa
Source organism: synthetic construct
Expression system: Not provided
5'-D(*CP*CP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*5CM)-3' Chain: E
Molecule details ›
Chain: E
Length: 14 nucleotides
Theoretical weight: 4.2 KDa
Source organism: synthetic construct
Expression system: Not provided
5'-D(*GP*AP*CP*GP*TP*TP*TP*TP*GP*AP)-3' Chain: F
Molecule details ›
Chain: F
Length: 10 nucleotides
Theoretical weight: 3.08 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand GOL 5 x GOL
Ligand MG 3 x MG
1 modified residue:
Ligand 5CM 1 x 5CM

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Unit cell:
a: 45.839Å b: 71.401Å c: 179.054Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.202 0.242
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

4 review citations

Salient Features of Endonuclease Platforms for Therapeutic Genome Editing.
Certo et al. (2016)
3 more

1 mention without citation

5'-Cytosine-phosphoguanine (CpG) methylation impacts the activity of natural and engineered meganucleases.
Valton et al. (2012)