› 2fld

X-ray diffraction
2Å resolution

I-MsoI Re-Designed for Altered DNA Cleavage Specificity

Released:
DOI: 10.2210/pdb2fld/pdb
PDB entry 2fld coloured by chain, front view.
PDB entry 2fld coloured by chain, side view.
PDB entry 2fld coloured by chain, top view.
Source organism: Monomastix sp. OKE-1
Primary publication:
Computational redesign of endonuclease DNA binding and cleavage specificity.
Ashworth J, Havranek JJ, Duarte CM, Sussman D, Monnat RJ, Stoddard BL, Baker D
Nature 441 656-9 (2006)
PMID: 16738662

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-110995 (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
Homing endonuclease LAGLIDADG domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 165 amino acids
Theoretical weight: 18.93 KDa
Source organism: Monomastix sp. OKE-1
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: C0JWR6 (Residues: 6-170; Coverage: 97%)
Gene name: orf170
Sequence domains: LAGLIDADG endonuclease
Structure domains: Homing endonucleases
5'-D(*GP*CP*AP*GP*AP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*CP*GP*TP*TP*CP*CP*G)-3' Chain: C
Molecule details ›
Chain: C
Length: 24 nucleotides
Theoretical weight: 7.44 KDa
Source organism: Monomastix sp. OKE-1
Expression system: Not provided
5'-D(*CP*GP*GP*AP*AP*CP*GP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*CP*TP*TP*CP*TP*GP*C)-3' Chain: D
Molecule details ›
Chain: D
Length: 24 nucleotides
Theoretical weight: 7.31 KDa
Source organism: Monomastix sp. OKE-1
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand NA 1 x NA
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P1
Unit cell:
a: 41.961Å b: 42.981Å c: 71.545Å
α: 72.29° β: 72.3° γ: 70.51°
R-values:
R R work R free
0.229 0.229 0.271
Expression systems:
  • Escherichia coli BL21
  • Not provided

Quick links

Citations

57 review citations

Macromolecular modeling with rosetta.
Das et al. (2008)
56 more

1 mention without citation

Computational redesign of endonuclease DNA binding and cleavage specificity.
Ashworth et al. (2006)