Invariom refinement of a new dimeric monoclinic 2 solvate of thiostrepton at 0.64 ångström resolution

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 0% strand (DSSP).

Ligands and binding sites

• ETZ · diethyl ether · ligand · 6 copies · chains B, A
• QUA · 8-hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid · ligand · 2 copies · chains A, B
• NH2 · Amino group · ion · 2 copies · chains A, B
• DMF · Dimethylformamide · additive · 8 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 · 158 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 20 modified, 4 covalent, 2 d-amino (nonstandard, covalent ligand, D-amino acid).

Compared structures

• 4HP2 · Invariom refinement of a new dimeric monoclinic 2 solvate of thiostrepton at 0.64… · the same entry in another collection · chain A against A, TM-score 1.00
• 1OLN · Model for thiostrepton antibiotic binding to L11 substrate from 50S ribosomal RNA · a predicted model of the same protein · chain B against B, TM-score 0.74
• 1OLN · Model for thiostrepton antibiotic binding to L11 substrate from 50S ribosomal RNA · a predicted model of the same protein · chain B against B, TM-score 0.74
• P0C8P8 · AlphaFold monomer V2.0 prediction for thiostrepton (P0C8P8) · a predicted model of the same protein · chain A against A, TM-score 0.12

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 P0C8P8
• Elsewhere: RCSB PDB 4HP2 · PDBe 4HP2 · UniProt P0C8P8