› 1i1p

X-ray diffraction
1.63Å resolution

REFINEMENT INCLUDING EXPERIMENTAL MAD PHASES ALLOWS AN EXHAUSTIVE STUDY OF ORDERED SOLVENT MOLECULES FOR A PLATINATED DECANUCLEOTIDE

Released:
DOI: 10.2210/pdb1i1p/pdb
PDB entry 1i1p coloured by chain, front view.
PDB entry 1i1p coloured by chain, side view.
PDB entry 1i1p coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Description of ordered solvent molecules in a platinated decanucleotide duplex refined at 1.6A resolution against experimental MAD phases.
Coste F, Shepard W, Zelwer C
Acta Crystallogr D Biol Crystallogr 58 431-40 (2002)
PMID: 11856828

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-113936 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
5'-D(*CP*CP*TP*CP*GP*CP*TP*CP*TP*C)-3' Chain: A
Molecule details ›
Chain: A
Length: 10 nucleotides
Theoretical weight: 2.93 KDa
Source organism: Synthetic construct
Expression system: Not provided
5'-D(*GP*AP*GP*AP*GP*CP*GP*AP*GP*G)-3' Chain: B
Molecule details ›
Chain: B
Length: 10 nucleotides
Theoretical weight: 3.16 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand CPT 1 x CPT
Ligand SPM 1 x SPM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LURE BEAMLINE DW21B
Spacegroup: C2
Unit cell:
a: 42.89Å b: 29.98Å c: 46.57Å
α: 90° β: 95.98° γ: 90°
R-values:
R R work R free
0.159 0.159 0.188
Expression system: Not provided

Quick links

Citations

1 citations in other articles

Molecular interaction fields (MIFs) to predict lipophilicity and ADME profile of antitumor Pt(II) complexes.
Caron et al. (2011)