Crystal structure of the [NI2+-(chromomycin A3)2]-ccg repeats complex

Structure

x-ray diffraction · 1 distinct chain.

Ligands and binding sites

• CDR · (2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol · ligand · 4 copies · chains B, A
• ERI · 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose · ligand · 2 copies · chains A, B
• ARI · (2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate · ligand · 2 copies · chains A, B
• 1GL · 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose · ligand · 2 copies · chains A, B
• CPH · (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose · ligand · 2 copies · chains A, B
• NI · Nickel (II) ion · metal · 3 copies · 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 · 475 Ų buried · 45 hydrogen bonds · nucleic-nucleic

Compared structures

• 5XEW · Crystal structure of the [Ni2+-(chromomycin A3)2]-CCG repeats complex · 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 5XEW · PDBe 5XEW