› 1qms

Solution NMR

Head-to-Tail Dimer of Calicheamicin gamma-1-I Oligosaccharide Bound to DNA Duplex, NMR, 9 Structures

Released:
DOI: 10.2210/pdb1qms/pdb
PDB entry 1qms coloured by chain, ensemble of 9 models, front view.
PDB entry 1qms coloured by chain, ensemble of 9 models, side view.
PDB entry 1qms coloured by chain, ensemble of 9 models, top view.
Source organism: synthetic construct
Primary publication:
Solution Structure of the Complex between the Head-to-Tail Dimer of Calicheamicin Gamma-1-I Oligosaccharide and a DNA Duplex Containing D(ACCT) and D(TCCT) High-Affinity Binding Sites
Bifulco G, Galeone A, Nicolaou KC, Chazin WJ, Gomez-Paloma L
J. Am. Chem. Soc. 120 7183-7191 (1998)

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-114440 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
DNA (5'-D(*GP*CP*AP*CP*CP*TP*TP*CP*CP*TP*GP*C)-3') Chain: A
Molecule details ›
Chain: A
Length: 12 nucleotides
Theoretical weight: 3.57 KDa
Source organism: synthetic construct
Expression system: Not provided
DNA (5'-D(*GP*CP*AP*GP*GP*AP*AP*GP*GP*TP*GP*C)-3') Chain: B
Molecule details ›
Chain: B
Length: 12 nucleotides
Theoretical weight: 3.75 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand CCI 2 x CCI
Ligand NBU 1 x NBU
No modified residues

Experiments and Validation Details

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

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