Bromine in PDB 8ufd: Multidrug Efflux Pump Mtefpa Bound with Inhibitor BRD8000.3

The binding sites of Bromine atom in the Multidrug Efflux Pump Mtefpa Bound with Inhibitor BRD8000.3 (pdb code 8ufd). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Multidrug Efflux Pump Mtefpa Bound with Inhibitor BRD8000.3, PDB code: 8ufd:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Multidrug Efflux Pump Mtefpa Bound with Inhibitor BRD8000.3


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Multidrug Efflux Pump Mtefpa Bound with Inhibitor BRD8000.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br603 b:64.4 occ:1.00 BR15 A:WJI603 0.0 64.4 1.0 C14 A:WJI603 1.9 64.4 1.0 N16 A:WJI603 2.9 64.4 1.0 C13 A:WJI603 2.9 64.4 1.0 C17 A:WJI603 3.2 64.4 1.0 N22 A:WJI603 3.2 64.4 1.0 CG1 A:VAL319 3.6 68.9 1.0 CD2 A:LEU380 3.6 57.7 1.0 CB A:VAL319 3.9 68.9 1.0 CB A:ALA498 4.1 56.2 1.0 C21 A:WJI603 4.1 64.4 1.0 N18 A:WJI603 4.1 64.4 1.0 C10 A:WJI603 4.1 64.4 1.0 C12 A:WJI603 4.2 64.4 1.0 CA A:ALA498 4.5 56.2 1.0 CA A:ALA316 4.5 67.7 1.0 CG1 A:VAL501 4.5 58.2 1.0 CG2 A:VAL319 4.5 68.9 1.0 CG2 A:VAL501 4.5 58.2 1.0 O A:ALA316 4.5 67.7 1.0 CB A:ALA316 4.6 67.7 1.0 CB A:VAL501 4.6 58.2 1.0 C11 A:WJI603 4.7 64.4 1.0 C19 A:WJI603 4.9 64.4 1.0 C20 A:WJI603 4.9 64.4 1.0 CG A:LEU380 4.9 57.7 1.0

Bromine binding site 2 out of 2 in the Multidrug Efflux Pump Mtefpa Bound with Inhibitor BRD8000.3


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Multidrug Efflux Pump Mtefpa Bound with Inhibitor BRD8000.3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br603 b:65.6 occ:1.00 BR15 B:WJI603 0.0 65.6 1.0 C14 B:WJI603 1.9 65.6 1.0 N16 B:WJI603 2.9 65.6 1.0 C13 B:WJI603 2.9 65.6 1.0 C17 B:WJI603 3.2 65.6 1.0 N22 B:WJI603 3.2 65.6 1.0 CG1 B:VAL319 3.6 68.3 1.0 CD2 B:LEU380 3.6 57.1 1.0 CB B:VAL319 3.9 68.3 1.0 CB B:ALA498 4.1 56.2 1.0 N18 B:WJI603 4.1 65.6 1.0 C21 B:WJI603 4.1 65.6 1.0 C10 B:WJI603 4.1 65.6 1.0 C12 B:WJI603 4.2 65.6 1.0 CA B:ALA498 4.5 56.2 1.0 CA B:ALA316 4.5 67.8 1.0 CG1 B:VAL501 4.5 58.3 1.0 CG2 B:VAL319 4.5 68.3 1.0 CG2 B:VAL501 4.5 58.3 1.0 O B:ALA316 4.5 67.8 1.0 CB B:ALA316 4.6 67.8 1.0 CB B:VAL501 4.6 58.3 1.0 C11 B:WJI603 4.7 65.6 1.0 C19 B:WJI603 4.9 65.6 1.0 C20 B:WJI603 4.9 65.6 1.0 CG B:LEU380 4.9 57.1 1.0

S.Wang, K.Wang, K.Song, Z.W.Lai, P.Li, D.Li, Y.Sun, Y.Mei, C.Xu, M.Liao. Structures of the Mycobacterium Tuberculosis Efflux Pump Efpa Reveal the Mechanisms of Transport and Inhibition. Nat Commun V. 15 7710 2024.
ISSN: ESSN 2041-1723
PubMed: 39231991
DOI: 10.1038/S41467-024-51948-9