Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with GP41 nhr (N44)

Structure

x-ray diffraction · 4 distinct chains · 95% helix, 0% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 2 copies · chains H, K, I, L

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

Interfaces

9 interfaces between chains.

• H–K · 812 Ų buried · 6 hydrogen bonds · protein-protein
• I–L · 807 Ų buried · 5 hydrogen bonds · protein-protein
• G–K · 788 Ų buried · 3 hydrogen bonds · protein-protein
• G–J · 765 Ų buried · 5 hydrogen bonds · protein-protein
• G–I · 738 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

• 6J5E · Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N44) · the same entry in another collection · chain G against G, 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 Q1HMR5
• Elsewhere: RCSB PDB 6J5E · PDBe 6J5E · UniProt Q1HMR5