› 1zph

X-ray diffraction
1.8Å resolution

Crystal structure analysis of the minor groove binding quinolinium quaternary salt SN 8315 complexed with CGCGAATTCGCG

Released:
DOI: 10.2210/pdb1zph/pdb
PDB entry 1zph coloured by chain, front view.
PDB entry 1zph coloured by chain, side view.
PDB entry 1zph coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution.
Adams A, Leong C, Denny WA, Guss JM
Acta Crystallogr D Biol Crystallogr 61 1348-53 (2005)
PMID: 16204886

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-114929 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' Chains: A, B
Molecule details ›
Chains: A, B
Length: 12 nucleotides
Theoretical weight: 3.66 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand SN8 1 x SN8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 24.873Å b: 39.907Å c: 65.707Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.24 0.234 0.314
Expression system: Not provided

Quick links

Citations

2 review citations

Non-covalent ligand/DNA interactions: minor groove binding agents.
Nelson et al. (2007)
1 more

1 mention without citation

Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems.
de Oliveira et al. (2022)