NMR solution structure of the 4:1 complex between an uncharged distamycin a analogue and [D(TGGGGT)]4

Structure

solution nmr · 1 distinct chain.

Ligands and binding sites

• KVY · 4-amino-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide · ligand · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

6 interfaces between chains.

• A–D · 299 Ų buried · 18 hydrogen bonds · nucleic-nucleic
• A–C · 283 Ų buried · 15 hydrogen bonds · nucleic-nucleic
• B–C · 258 Ų buried · 15 hydrogen bonds · nucleic-nucleic
• B–D · 214 Ų buried · 12 hydrogen bonds · nucleic-nucleic
• C–D · 53 Ų buried · 0 hydrogen bonds · nucleic-nucleic

Compared structures

• 2KVY · NMR solution structure of the 4:1 complex between an uncharged distamycin A analogue and… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Elsewhere: RCSB PDB 2KVY · PDBe 2KVY