Bromine in PDB 6mwh: Lasr Lbd:BB0020 Complex

The structure of Lasr Lbd:BB0020 Complex, PDB code: 6mwh was solved by B.L.Bassler, J.E.Paczkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.728, 62.067, 50.601, 90.00, 91.84, 90.00
R / Rfree (%)	19.7 / 27.5

The binding sites of Bromine atom in the Lasr Lbd:BB0020 Complex (pdb code 6mwh). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Lasr Lbd:BB0020 Complex, PDB code: 6mwh:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Lasr Lbd:BB0020 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Lasr Lbd:BB0020 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:51.8 occ:1.00 BR1 A:K5D301 0.0 51.8 1.0 C12 A:K5D301 2.0 39.5 1.0 C11 A:K5D301 2.9 34.4 1.0 C14 A:K5D301 3.1 37.5 1.0 CB A:ALA50 3.6 32.9 1.0 N A:LEU39 3.7 32.8 1.0 C A:GLY38 3.8 29.5 1.0 CD1 A:LEU40 3.9 46.4 1.0 CG A:LEU40 4.0 40.6 1.0 CA A:GLY38 4.2 27.8 1.0 C A:LEU39 4.2 37.2 1.0 C10 A:K5D301 4.2 38.9 1.0 CA A:GLY126 4.2 31.9 1.0 O A:GLY38 4.3 31.7 1.0 CA A:LEU39 4.3 30.7 1.0 CD1 A:TYR47 4.3 44.9 1.0 N A:LEU40 4.4 33.0 1.0 C08 A:K5D301 4.5 34.0 1.0 O A:LEU39 4.5 35.2 1.0 O A:LEU125 4.6 33.4 1.0 CB A:LEU40 4.7 36.1 1.0 C09 A:K5D301 4.8 39.2 1.0 CE1 A:TYR47 4.9 48.4 1.0 C A:GLY126 4.9 33.9 1.0 N A:ALA127 5.0 29.5 1.0

Bromine binding site 2 out of 2 in the Lasr Lbd:BB0020 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Lasr Lbd:BB0020 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:67.1 occ:1.00 BR1 B:K5D301 0.0 67.1 1.0 C12 B:K5D301 2.0 53.9 1.0 C14 B:K5D301 3.0 47.2 1.0 C11 B:K5D301 3.0 41.9 1.0 CD1 B:LEU40 3.4 47.8 1.0 C B:GLY38 3.9 41.2 1.0 CG B:LEU40 4.0 51.1 1.0 N B:LEU39 4.1 41.5 1.0 CA B:GLY38 4.1 37.5 1.0 O B:GLY38 4.1 38.9 1.0 C10 B:K5D301 4.3 45.5 1.0 C08 B:K5D301 4.3 46.5 1.0 CA B:GLY126 4.4 40.4 1.0 CB B:ALA50 4.4 44.3 1.0 N B:LEU40 4.5 46.3 1.0 O B:LEU125 4.5 47.8 1.0 C B:LEU39 4.6 48.0 1.0 CA B:LEU39 4.6 42.1 1.0 C09 B:K5D301 4.8 48.4 1.0

J.E.Paczkowski, A.R.Mccready, J.P.Cong, Z.Li, P.D.Jeffrey, C.D.Smith, B.R.Henke, F.M.Hughson, B.L.Bassler. An Autoinducer Analogue Reveals An Alternative Mode of Ligand Binding For the Lasr Quorum-Sensing Receptor. Acs Chem.Biol. V. 14 378 2019.
ISSN: ESSN 1554-8937
PubMed: 30763066
DOI: 10.1021/ACSCHEMBIO.8B00971