Crystal structure of hairpin polyamide py-im 1 bound to 5' cctgaccagg

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• 5N0 · 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl) amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl) amino]propyl}carbamoyl)benzoic acid · ligand · chains A, B
• ACT · Acetate ion · additive · chains A, B

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

Interfaces

1 interface between chains.

• A–B · 454 Ų buried · 47 hydrogen bonds · nucleic-nucleic

Compared structures

• 7RIL · Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG · 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 7RIL · PDBe 7RIL