Total chemical synthesis and high-resolution crystal structure of the potent anti-HIV protein aop-rantes

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 30% strand (DSSP).

Ligands and binding sites

• AOP · Pentyloxyamino-acetaldehyde · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 4 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 · 779 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 2 covalent (disulfide, covalent ligand).

Compared structures

• 1B3A · Total chemical synthesis and high-resolution crystal structure of the potent anti-HIV… · the same entry in another collection · chain A against A, TM-score 1.00
• P13501 · AlphaFold monomer V2.0 prediction for C-C motif chemokine 5 (P13501) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 P13501
• Elsewhere: RCSB PDB 1B3A · PDBe 1B3A · UniProt P13501