Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 8% strand (DSSP).

Ligands and binding sites

• IPH · Phenol · ligand · 2 copies · chains A, B, C, D
• 16E · N-(16-Carboxyhexadecanoyl)-L-glutamic acid · ligand · chains A, B
• ZN · Zinc ion · metal · 2 copies · chains B, D
• CL · Chloride ion · ion · 2 copies · chains B, D

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

Interfaces

5 interfaces between chains.

• A–B · 657 Ų buried · 7 hydrogen bonds · protein-protein
• C–D · 647 Ų buried · 6 hydrogen bonds · protein-protein
• B–D · 646 Ų buried · 9 hydrogen bonds · protein-protein
• A–D · 50 Ų buried · 1 hydrogen bond · protein-protein
• B–C · 33 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

• 4AKJ · Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by… · 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
• Every structure of UniProt P01308
• Elsewhere: RCSB PDB 4AKJ · PDBe 4AKJ · UniProt P01308