Chlorine in PDB 3ix8: Lasr-TP3 Complex

The structure of Lasr-TP3 Complex, PDB code: 3ix8 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 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.182, 85.214, 76.596, 90.00, 96.44, 90.00
R / Rfree (%)	20.3 / 24.9

The structure of Lasr-TP3 Complex also contains other interesting chemical elements:

Bromine

(Br)

8 atoms

The binding sites of Chlorine atom in the Lasr-TP3 Complex (pdb code 3ix8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Lasr-TP3 Complex, PDB code: 3ix8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Lasr-TP3 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lasr-TP3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl174 b:27.1 occ:1.00 CL17 A:TX3174 0.0 27.1 1.0 C16 A:TX3174 1.8 29.3 1.0 C15 A:TX3174 2.8 29.2 1.0 C11 A:TX3174 2.8 27.7 1.0 C9 A:TX3174 3.1 27.2 1.0 NE1 A:TRP60 3.2 20.7 1.0 N8 A:TX3174 3.5 26.4 1.0 C5 A:TX3174 3.6 30.1 1.0 O10 A:TX3174 3.7 26.2 1.0 CD1 A:LEU110 3.8 22.4 1.0 CZ2 A:TRP60 3.8 21.4 1.0 CE1 A:TYR64 3.8 21.5 1.0 CZ A:PHE101 3.8 25.4 1.0 CE2 A:TRP60 3.8 21.8 1.0 CD1 A:TYR64 3.9 21.7 1.0 CE2 A:TYR56 4.0 20.2 1.0 BR19 A:TX3174 4.1 28.1 1.0 C14 A:TX3174 4.1 29.0 1.0 C12 A:TX3174 4.1 28.8 1.0 C4 A:TX3174 4.2 29.6 1.0 OD2 A:ASP73 4.4 23.7 1.0 CE1 A:PHE101 4.4 25.6 1.0 C6 A:TX3174 4.4 29.0 1.0 CD1 A:TRP60 4.4 22.4 1.0 C7 A:TX3174 4.6 29.6 1.0 C13 A:TX3174 4.6 29.5 1.0 CD2 A:TYR56 4.6 21.8 1.0 CE2 A:PHE101 4.8 24.6 1.0 CZ A:TYR56 4.9 20.7 1.0 OH A:TYR56 4.9 22.3 1.0 CZ A:TYR64 4.9 21.1 1.0 CB A:ALA105 5.0 23.7 1.0

Chlorine binding site 2 out of 4 in the Lasr-TP3 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lasr-TP3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl174 b:29.8 occ:1.00 CL17 B:TX3174 0.0 29.8 1.0 C16 B:TX3174 1.8 30.2 1.0 C15 B:TX3174 2.8 29.8 1.0 C11 B:TX3174 2.9 28.8 1.0 C9 B:TX3174 3.2 27.9 1.0 NE1 B:TRP60 3.2 23.1 1.0 N8 B:TX3174 3.6 27.0 1.0 C5 B:TX3174 3.6 31.9 1.0 CZ2 B:TRP60 3.7 23.4 1.0 O10 B:TX3174 3.7 28.2 1.0 CE2 B:TRP60 3.8 23.6 1.0 CD1 B:LEU110 3.8 26.1 1.0 CZ B:PHE101 3.9 23.5 1.0 CE1 B:TYR64 3.9 20.2 1.0 CD1 B:TYR64 4.0 22.1 1.0 CE2 B:TYR56 4.0 22.7 1.0 BR19 B:TX3174 4.1 29.0 1.0 C14 B:TX3174 4.1 29.3 1.0 C12 B:TX3174 4.2 30.2 1.0 C4 B:TX3174 4.3 31.1 1.0 OD2 B:ASP73 4.4 23.9 1.0 CD1 B:TRP60 4.4 23.1 1.0 CE1 B:PHE101 4.4 24.6 1.0 C6 B:TX3174 4.5 30.8 1.0 C7 B:TX3174 4.6 30.2 1.0 C13 B:TX3174 4.6 30.2 1.0 CD2 B:TYR56 4.7 21.5 1.0 OH B:TYR56 4.8 24.1 1.0 CE2 B:PHE101 4.8 25.5 1.0 CZ B:TYR56 4.9 23.0 1.0 CB B:ALA105 4.9 23.7 1.0 CH2 B:TRP60 5.0 23.2 1.0

Chlorine binding site 3 out of 4 in the Lasr-TP3 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lasr-TP3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl174 b:25.8 occ:1.00 CL17 C:TX3174 0.0 25.8 1.0 C16 C:TX3174 1.8 25.6 1.0 C15 C:TX3174 2.8 26.6 1.0 C11 C:TX3174 2.9 25.0 1.0 NE1 C:TRP60 3.2 22.1 1.0 C9 C:TX3174 3.2 24.3 1.0 C5 C:TX3174 3.5 25.2 1.0 N8 C:TX3174 3.6 21.8 1.0 CE1 C:TYR64 3.7 16.5 1.0 CD1 C:LEU110 3.7 23.9 1.0 CZ2 C:TRP60 3.8 21.7 1.0 CD1 C:TYR64 3.8 17.1 1.0 CE2 C:TRP60 3.8 22.4 1.0 CZ C:PHE101 3.8 22.6 1.0 O10 C:TX3174 3.8 24.4 1.0 BR19 C:TX3174 4.0 25.0 1.0 C14 C:TX3174 4.1 25.7 1.0 CE2 C:TYR56 4.1 21.4 1.0 C12 C:TX3174 4.2 26.5 1.0 C4 C:TX3174 4.2 24.8 1.0 OD2 C:ASP73 4.3 19.8 1.0 CE1 C:PHE101 4.3 22.5 1.0 CD1 C:TRP60 4.4 21.5 1.0 C6 C:TX3174 4.4 25.0 1.0 C7 C:TX3174 4.6 24.7 1.0 C13 C:TX3174 4.6 25.7 1.0 CD2 C:TYR56 4.8 21.0 1.0 CB C:ALA105 4.9 24.8 1.0 CZ C:TYR64 4.9 18.1 1.0 CE2 C:PHE101 4.9 22.1 1.0 OH C:TYR56 4.9 22.9 1.0

Chlorine binding site 4 out of 4 in the Lasr-TP3 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lasr-TP3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl174 b:28.9 occ:1.00 CL17 D:TX3174 0.0 28.9 1.0 C16 D:TX3174 1.8 29.7 1.0 C15 D:TX3174 2.8 29.5 1.0 C11 D:TX3174 2.9 27.1 1.0 NE1 D:TRP60 3.2 24.9 1.0 C9 D:TX3174 3.2 26.3 1.0 C5 D:TX3174 3.6 29.2 1.0 CZ2 D:TRP60 3.7 24.8 1.0 N8 D:TX3174 3.7 26.0 1.0 CE1 D:TYR64 3.7 21.6 1.0 O10 D:TX3174 3.7 23.0 1.0 CE2 D:TRP60 3.8 25.7 1.0 CD1 D:TYR64 3.8 22.5 1.0 CD1 D:LEU110 3.9 26.2 1.0 CZ D:PHE101 3.9 26.3 1.0 BR19 D:TX3174 4.0 28.0 1.0 C14 D:TX3174 4.1 29.1 1.0 CE2 D:TYR56 4.1 22.0 1.0 C12 D:TX3174 4.2 28.8 1.0 C4 D:TX3174 4.2 29.4 1.0 OD2 D:ASP73 4.4 20.7 1.0 CD1 D:TRP60 4.4 24.8 1.0 C6 D:TX3174 4.5 28.7 1.0 CE1 D:PHE101 4.5 25.9 1.0 C13 D:TX3174 4.6 28.1 1.0 C7 D:TX3174 4.7 28.7 1.0 CD2 D:TYR56 4.8 21.4 1.0 CZ D:TYR64 4.8 22.4 1.0 CE2 D:PHE101 4.8 25.4 1.0 CB D:ALA105 5.0 27.3 1.0 CH2 D:TRP60 5.0 25.7 1.0 CG D:TYR64 5.0 22.6 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