Bromine in PDB 6mwl: Lasr Lbd:Mbtl Complex

The structure of Lasr Lbd:Mbtl Complex, PDB code: 6mwl 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)	20.20 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.073, 67.325, 53.785, 90.00, 117.07, 90.00
R / Rfree (%)	19.1 / 22.2

The binding sites of Bromine atom in the Lasr Lbd:Mbtl Complex (pdb code 6mwl). 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:Mbtl Complex, PDB code: 6mwl:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Lasr Lbd:Mbtl 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:Mbtl Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:21.3 occ:1.00 BR1 A:K5G301 0.0 21.3 1.0 C02 A:K5G301 1.9 16.3 1.0 C03 A:K5G301 2.9 15.3 1.0 C20 A:K5G301 2.9 19.0 1.0 N A:LEU33 3.7 12.9 1.0 C A:GLY32 3.7 11.4 1.0 CA A:GLY32 3.9 11.0 1.0 CD1 A:ILE46 4.0 21.4 1.0 CG A:LEU34 4.0 18.8 1.0 CE1 A:TYR41 4.0 25.6 1.0 CB A:ALA44 4.1 21.6 1.0 O A:GLY32 4.1 12.5 1.0 C A:LEU33 4.1 15.7 1.0 C04 A:K5G301 4.1 14.2 1.0 CD1 A:TYR41 4.2 25.2 1.0 C19 A:K5G301 4.2 19.0 1.0 CA A:LEU33 4.2 13.8 1.0 CD1 A:LEU34 4.3 21.3 1.0 O A:LEU33 4.4 17.1 1.0 N A:LEU34 4.4 12.4 1.0 O A:LEU119 4.6 12.2 1.0 C18 A:K5G301 4.7 15.8 1.0 CD2 A:LEU34 4.7 22.0 1.0 CA A:GLY120 4.8 12.5 1.0 CB A:LEU34 4.9 15.4 1.0

Bromine binding site 2 out of 2 in the Lasr Lbd:Mbtl 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:Mbtl Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:23.6 occ:1.00 BR1 B:K5G301 0.0 23.6 1.0 C02 B:K5G301 1.9 16.1 1.0 C03 B:K5G301 2.8 16.5 1.0 C20 B:K5G301 2.9 16.2 1.0 N B:LEU33 3.6 13.8 1.0 C B:GLY32 3.7 14.7 1.0 CG B:LEU34 3.8 25.4 1.0 CA B:GLY32 3.9 12.8 1.0 O B:GLY32 4.1 12.9 1.0 CD1 B:LEU34 4.1 28.2 1.0 C04 B:K5G301 4.1 14.8 1.0 CA B:LEU33 4.2 14.8 1.0 C B:LEU33 4.2 18.0 1.0 C19 B:K5G301 4.2 18.2 1.0 CD1 B:ILE46 4.2 25.8 1.0 CB B:ALA44 4.3 31.1 1.0 O B:LEU119 4.3 15.0 1.0 N B:LEU34 4.4 16.1 1.0 CD2 B:LEU34 4.5 32.7 1.0 CA B:GLY120 4.5 13.3 1.0 O B:LEU33 4.6 18.2 1.0 C18 B:K5G301 4.7 15.3 1.0 CB B:LEU34 4.8 20.2 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