3-formylrifamycin sv binding to the access pocket of acrb L protomer

Structure

x-ray diffraction · 4 distinct chains.

Ligands and binding sites

• ETE · 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol · ligand · chains A
• 3YI · (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16, 18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate · ligand · chains A
• DDR · (2S)-3-hydroxypropane-1,2-diyl didecanoate · ligand · chains B
• DDQ · Decylamine-N,N-dimethyl-N-oxide · ligand · chains A, B
• D10 · Decane · ligand · chains B, C
• CL · Chloride ion · ion · chains C
• LMT · Dodecyl-beta-D-maltoside · additive · 6 copies · chains A, C, B
• GOL · Glycerol · additive · 4 copies · chains A, C, B, D
• HEX · Hexane · additive · chains A
• EDO · 1,2-ethanediol · additive · chains A, E
• OCT · N-octane · additive · chains B

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

Compared structures

• 6ZOB · 3-Formylrifamycin SV binding to the access pocket of AcrB L protomer · the same entry in another collection · chain E against E, TM-score 1.00
• P31224 · AlphaFold monomer V2.0 prediction for multidrug efflux pump subunit acrb (P31224) · a predicted model of the same protein · chain C against A, TM-score 0.99

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 P31224
• Elsewhere: RCSB PDB 6ZOB · PDBe 6ZOB · UniProt P31224