› 1nne

X-ray diffraction
3.11Å resolution

Crystal Structure of the MutS-ADPBeF3-DNA complex

Released:
DOI: 10.2210/pdb1nne/pdb
PDB entry 1nne coloured by chain, front view.
PDB entry 1nne coloured by chain, side view.
PDB entry 1nne coloured by chain, top view.
Source organism: Thermus aquaticus
Primary publication:
Crystal structure and biochemical analysis of the MutS.ADP.beryllium fluoride complex suggests a conserved mechanism for ATP interactions in mismatch repair.
Alani E, Lee JY, Schofield MJ, Kijas AW, Hsieh P, Yang W
J Biol Chem 278 16088-94 (2003)
PMID: 12582174

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-114268 (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
DNA mismatch repair protein MutS Chains: A, B
Molecule details ›
Chains: A, B
Length: 765 amino acids
Theoretical weight: 85.78 KDa
Source organism: Thermus aquaticus
UniProt:
  • Canonical: Q56215 (Residues: 1-765; Coverage: 94%)
Gene name: mutS
Sequence domains:
Structure domains:
5'-D(*GP*CP*GP*AP*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*TP*CP*GP*TP*C)-3' Chain: C
Molecule details ›
Chain: C
Length: 23 nucleotides
Theoretical weight: 7.07 KDa
Source organism: Thermus aquaticus
Expression system: Not provided
5'-D(P*GP*GP*AP*CP*GP*AP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*GP*TP*CP*G)-3' Chain: D
Molecule details ›
Chain: D
Length: 22 nucleotides
Theoretical weight: 6.78 KDa
Source organism: Thermus aquaticus
Expression system: Not provided

Ligands and Environments

4 bound ligands:
Ligand SO4 2 x SO4
Ligand BEF 2 x BEF
Ligand ADP 2 x ADP
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 103.442Å b: 113.224Å c: 160.284Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.209 0.259
Expression system: Not provided

Quick links

Citations

6 review citations

DNA mismatch repair.
Kunkel et al. (2005)
5 more

7 mentions without citation

Membrane Exporters of Fluoride Ion.
McIlwain et al. (2021)
6 more