› 226d

Solution NMR

SOLUTION CONFORMATION OF A BIZELESIN A-TRACT DUPLEX ADDUCT, NMR, 1 STRUCTURE

Released:
DOI: 10.2210/pdb226d/pdb
PDB entry 226d coloured by chain, front view.
PDB entry 226d coloured by chain, side view.
PDB entry 226d coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Solution conformation of a bizelesin A-tract duplex adduct: DNA-DNA cross-linking of an A-tract straightens out bent DNA.
Thompson AS, Hurley LH
J Mol Biol 252 86-101 (1995)
PMID: 7666436

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-114992 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
DNA (5'-D(*CP*GP*TP*TP*TP*TP*TP*AP*CP*G)-3') Chain: A
Molecule details ›
Chain: A
Length: 10 nucleotides
Theoretical weight: 3.03 KDa
Source organism: Synthetic construct
Expression system: Not provided
DNA (5'-D(*CP*GP*TP*AP*AP*AP*AP*AP*CP*G)-3') Chain: B
Molecule details ›
Chain: B
Length: 10 nucleotides
Theoretical weight: 3.06 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand BIZ 1 x BIZ
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: RESTRAINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS
Expression system: Not provided

Quick links

Citations

5 citation in other articles

Catalysis of the CC-1065 and duocarmycin DNA alkylation reaction: DNA binding induced conformational change in the agent results in activation.
Boger et al. (1997)
4 more

1 mention without citation

Synthetic and computational efforts towards the development of peptidomimetics and small-molecule SARS-CoV 3CLpro inhibitors.
Paul et al. (2021)