Bromine in PDB 3jpu: Lasr-TP4 Complex

The structure of Lasr-TP4 Complex, PDB code: 3jpu was solved by Y.Zou, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.148, 82.428, 90.493, 90.00, 126.01, 90.00
R / Rfree (%)	22.5 / 28.1

The structure of Lasr-TP4 Complex also contains other interesting chemical elements:

Chlorine

(Cl)

15 atoms

The binding sites of Bromine atom in the Lasr-TP4 Complex (pdb code 3jpu). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Lasr-TP4 Complex, PDB code: 3jpu:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br174 b:58.8 occ:1.00 BR19 A:TY4174 0.0 58.8 1.0 C4 A:TY4174 1.9 42.0 1.0 C5 A:TY4174 2.7 41.2 1.0 C3 A:TY4174 2.8 39.2 1.0 CD1 A:TYR64 3.6 20.1 1.0 CG A:TYR64 3.6 20.6 1.0 NE1 A:TRP60 3.7 28.2 1.0 CB A:TYR64 3.8 22.0 1.0 CD2 A:TYR56 3.8 30.5 1.0 CD1 A:TRP60 3.9 26.3 1.0 C6 A:TY4174 4.0 37.9 1.0 CD1 A:LEU36 4.0 30.5 1.0 CA A:ARG61 4.1 27.9 1.0 C2 A:TY4174 4.1 40.6 1.0 CE1 A:TYR64 4.1 19.8 1.0 CD2 A:TYR64 4.1 18.8 1.0 CG A:ARG61 4.2 33.5 1.0 CL17 A:TY4174 4.2 60.2 1.0 CE2 A:TYR56 4.2 29.9 1.0 O A:TRP60 4.5 27.3 1.0 C1 A:TY4174 4.5 37.5 1.0 CB A:ARG61 4.6 28.4 1.0 CE2 A:TRP60 4.6 28.6 1.0 CZ A:TYR64 4.6 19.3 1.0 CE2 A:TYR64 4.6 17.9 1.0 N A:ARG61 4.7 27.7 1.0 CG A:TRP60 4.9 25.0 1.0 C A:TRP60 4.9 27.3 1.0 O A:ARG61 4.9 26.9 1.0 CG A:TYR56 4.9 27.4 1.0

Bromine binding site 2 out of 5 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Br174 b:64.5 occ:1.00 BR19 B:TY4174 0.0 64.5 1.0 C4 B:TY4174 1.9 56.9 1.0 C5 B:TY4174 2.7 55.8 1.0 C3 B:TY4174 2.9 52.3 1.0 CD1 B:TYR64 3.6 33.0 1.0 CG B:TYR64 3.6 34.0 1.0 CB B:TYR64 3.8 33.9 1.0 NE1 B:TRP60 3.8 39.2 1.0 CD1 B:LEU36 4.0 37.2 1.0 CD2 B:TYR56 4.0 35.8 1.0 CL17 B:TY4174 4.1 62.6 1.0 C6 B:TY4174 4.1 54.8 1.0 CG B:ARG61 4.1 40.9 1.0 CD1 B:TRP60 4.2 39.2 1.0 CE1 B:TYR64 4.2 33.4 1.0 CA B:ARG61 4.2 37.7 1.0 C2 B:TY4174 4.2 52.4 1.0 CD2 B:TYR64 4.3 32.2 1.0 CE2 B:TYR56 4.4 34.8 1.0 CE2 B:TRP60 4.6 38.8 1.0 CB B:ARG61 4.6 37.9 1.0 O B:TRP60 4.6 38.3 1.0 C1 B:TY4174 4.6 53.9 1.0 CZ B:TYR64 4.7 31.1 1.0 CE2 B:TYR64 4.8 29.3 1.0 N B:ARG61 4.8 38.1 1.0 O B:ARG61 4.9 35.1 1.0 C B:TRP60 5.0 38.5 1.0 CG B:TRP60 5.0 38.1 1.0

Bromine binding site 3 out of 5 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Br174 b:78.0 occ:1.00 BR19 C:TY4174 0.0 78.0 1.0 C4 C:TY4174 1.9 69.6 1.0 C3 C:TY4174 2.9 69.5 1.0 C5 C:TY4174 2.9 66.8 1.0 CD1 C:TYR64 3.6 36.5 1.0 NE1 C:TRP60 3.6 38.0 1.0 CG C:TYR64 3.7 37.9 1.0 CD2 C:TYR56 3.7 35.1 1.0 CD1 C:LEU36 3.8 34.3 1.0 CB C:TYR64 3.8 39.0 1.0 CD1 C:TRP60 3.9 38.7 1.0 CL17 C:TY4174 4.0 72.4 1.0 C2 C:TY4174 4.2 67.2 1.0 C6 C:TY4174 4.2 63.9 1.0 CE2 C:TYR56 4.2 34.5 1.0 CA C:ARG61 4.2 41.7 1.0 CE1 C:TYR64 4.2 37.5 1.0 CG C:ARG61 4.3 44.3 1.0 CD2 C:TYR64 4.4 37.2 1.0 CE2 C:TRP60 4.6 35.2 1.0 C1 C:TY4174 4.7 65.8 1.0 N C:ARG61 4.7 40.8 1.0 O C:TRP60 4.7 39.5 1.0 CB C:ARG61 4.8 42.1 1.0 CG C:TYR56 4.8 37.0 1.0 CZ C:TYR64 4.8 38.5 1.0 CG C:TRP60 4.8 37.9 1.0 CE2 C:TYR64 4.9 39.0 1.0 C C:TRP60 5.0 40.1 1.0

Bromine binding site 4 out of 5 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br174 b:78.8 occ:1.00 BR19 D:TY4174 0.0 78.8 1.0 C4 D:TY4174 1.9 65.9 1.0 C3 D:TY4174 2.8 63.8 1.0 C5 D:TY4174 2.8 63.5 1.0 CG D:TYR64 3.4 39.9 1.0 CD1 D:TYR64 3.5 39.1 1.0 CB D:TYR64 3.7 40.9 1.0 CD2 D:TYR64 3.9 38.4 1.0 CG D:ARG61 3.9 44.0 1.0 NE1 D:TRP60 3.9 41.0 1.0 CD2 D:LEU36 4.0 39.4 1.0 CD2 D:TYR56 4.0 39.1 1.0 CE1 D:TYR64 4.0 38.1 1.0 CA D:ARG61 4.1 41.2 1.0 C6 D:TY4174 4.1 64.2 1.0 C2 D:TY4174 4.1 62.6 1.0 CL17 D:TY4174 4.1 70.8 1.0 CD1 D:TRP60 4.2 38.7 1.0 CE2 D:TYR64 4.4 37.5 1.0 CB D:ARG61 4.4 41.2 1.0 CD D:ARG61 4.4 45.3 1.0 CZ D:TYR64 4.5 38.4 1.0 CE2 D:TYR56 4.5 40.6 1.0 C1 D:TY4174 4.6 63.4 1.0 N D:ARG61 4.8 40.8 1.0 O D:TRP60 4.8 40.7 1.0 O D:ARG61 4.9 40.6 1.0 CE2 D:TRP60 4.9 39.7 1.0 OD2 D:ASP65 4.9 48.5 1.0

Bromine binding site 5 out of 5 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ E:Br174 b:81.0 occ:1.00 BR19 E:TY4174 0.0 81.0 1.0 C4 E:TY4174 1.9 69.8 1.0 C3 E:TY4174 2.8 68.7 1.0 C5 E:TY4174 2.9 67.5 1.0 CG E:TYR64 3.6 45.6 1.0 CD1 E:TYR64 3.7 46.5 1.0 CB E:TYR64 3.8 44.9 1.0 CD E:ARG61 3.8 42.9 1.0 CD2 E:TYR56 3.8 38.2 1.0 CD2 E:TYR64 4.0 45.8 1.0 CD1 E:LEU36 4.0 38.2 1.0 C2 E:TY4174 4.1 69.2 1.0 CA E:ARG61 4.1 41.2 1.0 C6 E:TY4174 4.1 65.5 1.0 NE1 E:TRP60 4.2 40.9 1.0 CE1 E:TYR64 4.3 45.2 1.0 CG E:ARG61 4.3 42.4 1.0 CD1 E:TRP60 4.3 40.6 1.0 CE2 E:TYR56 4.4 38.2 1.0 CL17 E:TY4174 4.5 78.2 1.0 CE2 E:TYR64 4.5 45.8 1.0 O E:TRP60 4.6 40.0 1.0 N E:ARG61 4.6 40.4 1.0 C1 E:TY4174 4.6 67.6 1.0 CZ E:TYR64 4.6 44.8 1.0 NH2 E:ARG61 4.6 43.6 1.0 CB E:ARG61 4.7 40.9 1.0 C E:TRP60 4.9 40.2 1.0 CG E:TYR56 4.9 39.2 1.0 O E:ARG61 4.9 41.6 1.0 NE E:ARG61 5.0 44.0 1.0

Y.Zou, S.K.Nair. Molecular Basis For the Recognition of Structurally Distinct Autoinducer Mimics By the Pseudomonas Aeruginosa Lasr Quorum-Sensing Signaling Receptor. Chem.Biol. V. 16 961 2009.
ISSN: ISSN 1074-5521
PubMed: 19778724
DOI: 10.1016/J.CHEMBIOL.2009.09.001