2b3e | pdb_00002b3e

Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.

spinqualitylabelsall models 2b3e, resolution 1.36Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2b3e is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.36Å Ligands: DBN, MG Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed The crystal structure of the DNA minor groove biphenyl benzimidazole diamidine ligand DB819 has been determined, bound to the DNA sequence d(CGCGAATTCGCG)(2), at a resolution of 1.36 Angstrom. Conditions for reliable in silico docking that reproduce the observed position of the ligand in the minor groove have been determined. Targeting the DNA minor groove with fused ring dicationic compounds: comparison of in silico screening and a high-resolution crystal structure.,Campbell NH, Evans DA, Lee MP, Parkinson GN, Neidle S Bioorg Med Chem Lett. 2006 Jan 1;16(1):15-9. Epub 2005 Nov 2. PMID:16263285 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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