Crystal structure of the complex between GP41 fragment N36 and fusion inhibitor SC34EK

Structure

x-ray diffraction · 2 distinct chains · 94% helix, 0% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 6 copies · chains A, F, B, C, D, E
• NH2 · Amino group · ion · 6 copies · chains A, B, C, D, E, F
• SO4 · Sulfate ion · ion · chains E
• ACY · Acetic acid · additive · chains C

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

Interfaces

9 interfaces between chains.

• B–E · 850 Ų buried · 9 hydrogen bonds · protein-protein
• A–D · 843 Ų buried · 6 hydrogen bonds · protein-protein
• C–F · 776 Ų buried · 6 hydrogen bonds · protein-protein
• A–B · 720 Ų buried · 5 hydrogen bonds · protein-protein
• B–C · 712 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 covalent, 3 modified (covalent ligand, nonstandard).

Compared structures

• 2Z2T · Crystal structure of the complex between gp41 fragment N36 and fusion inhibitor SC34EK · 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 2Z2T · PDBe 2Z2T