› 5mvb

Solution NMR

Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand.

Released:
DOI: 10.2210/pdb5mvb/pdb
PDB entry 5mvb coloured by chain, ensemble of 10 models, front view.
PDB entry 5mvb coloured by chain, ensemble of 10 models, side view.
PDB entry 5mvb coloured by chain, ensemble of 10 models, top view.
Source organism: Homo sapiens
Primary publication:
Solution NMR Structure of a Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding.
Wirmer-Bartoschek J, Bendel LE, Jonker HRA, Grün JT, Papi F, Bazzicalupi C, Messori L, Gratteri P, Schwalbe H
Angew Chem Int Ed Engl 56 7102-7106 (2017)
PMID: 28524432

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-119036 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
DNA (26-MER) Chain: A
Molecule details ›
Chain: A
Length: 26 nucleotides
Theoretical weight: 8.2 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand K 2 x K
Ligand AUZ 1 x AUZ
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this NMR entry.
Chemical shift assignment: 43%
Refinement method: simulated annealing
Expression system: Not provided

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Citations

3 review citations

Recent Developments in Small-Molecule Ligands of Medicinal Relevance for Harnessing the Anticancer Potential of G-Quadruplexes.
Savva et al. (2021)
2 more

5 mentions without citation

Insights into the Small Molecule Targeting of Biologically Relevant G-Quadruplexes: An Overview of NMR and Crystal Structures.
Criscuolo et al. (2022)
4 more