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Chlorine in PDB 3ix4: Lasr-TP1 Complex

Protein crystallography data

The structure of Lasr-TP1 Complex, PDB code: 3ix4 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 (°) 54.196, 84.546, 156.385, 90.00, 95.97, 90.00
R / Rfree (%) 19.9 / 24.7

Other elements in 3ix4:

The structure of Lasr-TP1 Complex also contains other interesting chemical elements:

Bromine (Br) 16 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Lasr-TP1 Complex (pdb code 3ix4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Lasr-TP1 Complex, PDB code: 3ix4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3ix4

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Chlorine binding site 1 out of 8 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl174

b:25.1
occ:1.00
 CL31 A:TX1174 0.0 25.1 1.0
C30 A:TX1174 1.8 23.6 1.0
C29 A:TX1174 2.8 23.7 1.0
C25 A:TX1174 2.8 23.1 1.0
O22 A:TX1174 3.1 22.7 1.0
C21 A:TX1174 3.2 22.8 1.0
C A:GLY38 3.3 18.6 1.0
N A:LEU39 3.4 18.8 1.0
CB A:ALA50 3.5 26.7 1.0
O A:GLY38 3.7 17.9 1.0
CA A:GLY38 3.7 17.9 1.0
CA A:LEU39 4.0 19.4 1.0
C28 A:TX1174 4.1 23.8 1.0
C26 A:TX1174 4.1 23.2 1.0
C A:LEU39 4.1 20.1 1.0
CG A:LEU40 4.1 21.8 1.0
BR23 A:TX1174 4.3 23.8 1.0
CD2 A:TYR47 4.3 29.2 1.0
O20 A:TX1174 4.4 21.3 1.0
N A:LEU40 4.4 21.0 1.0
O A:LEU39 4.5 19.7 1.0
CD1 A:LEU40 4.5 23.2 1.0
O A:LEU125 4.5 18.1 1.0
C27 A:TX1174 4.6 23.6 1.0
CA A:GLY126 4.6 16.2 1.0
CE2 A:TYR47 4.8 29.5 1.0
CA A:ALA50 4.9 26.6 1.0
CD2 A:LEU40 5.0 22.8 1.0
N A:GLY38 5.0 17.5 1.0

Chlorine binding site 2 out of 8 in 3ix4

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Chlorine binding site 2 out of 8 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl174

b:19.8
occ:1.00
 CL31 B:TX1174 0.0 19.8 1.0
C30 B:TX1174 1.8 17.3 1.0
C29 B:TX1174 2.8 16.7 1.0
C25 B:TX1174 2.8 17.2 1.0
O22 B:TX1174 3.1 16.2 1.0
C21 B:TX1174 3.2 16.9 1.0
CB B:ALA50 3.4 19.5 1.0
C B:GLY38 3.5 14.5 1.0
N B:LEU39 3.5 14.6 1.0
CA B:GLY38 3.8 13.8 1.0
O B:GLY38 3.9 14.5 1.0
C28 B:TX1174 4.1 17.7 1.0
C26 B:TX1174 4.1 17.2 1.0
CA B:LEU39 4.1 15.2 1.0
CG B:LEU40 4.1 17.7 1.0
C B:LEU39 4.2 15.7 1.0
BR23 B:TX1174 4.2 19.3 1.0
CD2 B:TYR47 4.2 21.8 1.0
O20 B:TX1174 4.3 16.4 1.0
CD1 B:LEU40 4.4 17.4 1.0
N B:LEU40 4.5 16.6 1.0
O B:LEU39 4.5 15.8 1.0
O B:LEU125 4.6 14.0 1.0
C27 B:TX1174 4.6 17.8 1.0
CE2 B:TYR47 4.6 21.3 1.0
CA B:GLY126 4.7 12.8 1.0
CA B:ALA50 4.8 19.7 1.0
CB B:LEU40 4.9 16.9 1.0

Chlorine binding site 3 out of 8 in 3ix4

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Chlorine binding site 3 out of 8 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl174

b:23.7
occ:1.00
 CL31 C:TX1174 0.0 23.7 1.0
C30 C:TX1174 1.8 21.9 1.0
C29 C:TX1174 2.8 21.8 1.0
C25 C:TX1174 2.8 21.6 1.0
O22 C:TX1174 3.0 21.3 1.0
C21 C:TX1174 3.1 22.1 1.0
CB C:ALA50 3.4 22.8 1.0
C C:GLY38 3.6 16.5 1.0
N C:LEU39 3.7 16.6 1.0
CA C:GLY38 3.8 16.0 1.0
O C:GLY38 4.0 16.1 1.0
C28 C:TX1174 4.1 21.9 1.0
C26 C:TX1174 4.1 22.3 1.0
BR23 C:TX1174 4.2 23.9 1.0
CG C:LEU40 4.2 21.4 1.0
CD2 C:TYR47 4.2 26.7 1.0
CA C:LEU39 4.3 17.8 1.0
C C:LEU39 4.3 18.5 1.0
O20 C:TX1174 4.3 21.1 1.0
CD1 C:LEU40 4.4 22.4 1.0
N C:LEU40 4.5 19.8 1.0
C27 C:TX1174 4.6 21.8 1.0
CE2 C:TYR47 4.7 27.3 1.0
O C:LEU39 4.7 18.2 1.0
O C:LEU125 4.7 16.7 1.0
CA C:GLY126 4.8 15.2 1.0
CA C:ALA50 4.9 22.8 1.0
CB C:LEU40 5.0 21.0 1.0

Chlorine binding site 4 out of 8 in 3ix4

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Chlorine binding site 4 out of 8 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl174

b:18.8
occ:1.00
 CL31 D:TX1174 0.0 18.8 1.0
C30 D:TX1174 1.8 16.0 1.0
C29 D:TX1174 2.8 15.8 1.0
C25 D:TX1174 2.9 14.9 1.0
O22 D:TX1174 3.1 14.9 1.0
C21 D:TX1174 3.2 14.9 1.0
CB D:ALA50 3.4 16.5 1.0
C D:GLY38 3.5 10.3 1.0
N D:LEU39 3.6 10.5 1.0
CA D:GLY38 3.7 10.3 1.0
O D:GLY38 3.9 9.8 1.0
C28 D:TX1174 4.1 16.2 1.0
C26 D:TX1174 4.1 15.4 1.0
CA D:LEU39 4.2 11.1 1.0
CG D:LEU40 4.2 14.1 1.0
C D:LEU39 4.2 11.7 1.0
CD2 D:TYR47 4.3 20.0 1.0
BR23 D:TX1174 4.3 18.0 1.0
O20 D:TX1174 4.4 14.5 1.0
CD1 D:LEU40 4.4 14.9 1.0
N D:LEU40 4.5 12.5 1.0
O D:LEU125 4.6 11.4 1.0
O D:LEU39 4.6 11.9 1.0
C27 D:TX1174 4.6 15.7 1.0
CA D:GLY126 4.6 10.2 1.0
CA D:ALA50 4.8 16.8 1.0
CE2 D:TYR47 4.8 19.5 1.0
N D:GLY38 5.0 9.9 1.0

Chlorine binding site 5 out of 8 in 3ix4

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Chlorine binding site 5 out of 8 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl174

b:20.4
occ:1.00
 CL31 E:TX1174 0.0 20.4 1.0
C30 E:TX1174 1.8 17.9 1.0
C29 E:TX1174 2.8 17.8 1.0
C25 E:TX1174 2.8 17.0 1.0
O22 E:TX1174 3.1 15.8 1.0
C21 E:TX1174 3.1 17.3 1.0
CB E:ALA50 3.4 18.0 1.0
C E:GLY38 3.6 13.4 1.0
N E:LEU39 3.6 13.5 1.0
CA E:GLY38 3.8 12.8 1.0
O E:GLY38 3.9 13.1 1.0
C28 E:TX1174 4.1 17.2 1.0
C26 E:TX1174 4.1 18.1 1.0
BR23 E:TX1174 4.2 19.2 1.0
CD2 E:TYR47 4.2 22.5 1.0
CG E:LEU40 4.2 15.9 1.0
CA E:LEU39 4.3 14.3 1.0
O20 E:TX1174 4.3 15.8 1.0
C E:LEU39 4.4 14.8 1.0
CD1 E:LEU40 4.4 14.4 1.0
N E:LEU40 4.6 15.2 1.0
C27 E:TX1174 4.6 18.1 1.0
CE2 E:TYR47 4.7 22.4 1.0
O E:LEU125 4.7 12.2 1.0
O E:LEU39 4.7 14.7 1.0
CA E:GLY126 4.8 12.1 1.0
CA E:ALA50 4.9 17.9 1.0

Chlorine binding site 6 out of 8 in 3ix4

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Chlorine binding site 6 out of 8 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl174

b:23.1
occ:1.00
 CL31 F:TX1174 0.0 23.1 1.0
C30 F:TX1174 1.8 21.4 1.0
C29 F:TX1174 2.8 21.1 1.0
C25 F:TX1174 2.8 20.3 1.0
O22 F:TX1174 3.0 19.9 1.0
C21 F:TX1174 3.2 20.3 1.0
CB F:ALA50 3.4 20.9 1.0
C F:GLY38 3.5 14.4 1.0
N F:LEU39 3.6 14.9 1.0
CA F:GLY38 3.7 14.0 1.0
O F:GLY38 4.0 13.8 1.0
C28 F:TX1174 4.1 21.0 1.0
C26 F:TX1174 4.1 21.0 1.0
CG F:LEU40 4.2 20.5 1.0
CA F:LEU39 4.2 16.4 1.0
BR23 F:TX1174 4.3 21.8 1.0
C F:LEU39 4.3 17.2 1.0
CD2 F:TYR47 4.3 24.6 1.0
O20 F:TX1174 4.4 18.7 1.0
CD1 F:LEU40 4.5 20.7 1.0
N F:LEU40 4.5 18.5 1.0
C27 F:TX1174 4.6 20.3 1.0
O F:LEU125 4.6 15.0 1.0
O F:LEU39 4.6 17.2 1.0
CA F:GLY126 4.7 13.9 1.0
CE2 F:TYR47 4.8 25.1 1.0
CA F:ALA50 4.8 20.8 1.0
CD2 F:LEU40 5.0 20.8 1.0
N F:GLY38 5.0 13.3 1.0

Chlorine binding site 7 out of 8 in 3ix4

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Chlorine binding site 7 out of 8 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl174

b:19.0
occ:1.00
 CL31 G:TX1174 0.0 19.0 1.0
C30 G:TX1174 1.8 16.7 1.0
C29 G:TX1174 2.8 16.8 1.0
C25 G:TX1174 2.8 15.7 1.0
O22 G:TX1174 3.1 16.4 1.0
C21 G:TX1174 3.1 16.1 1.0
CB G:ALA50 3.4 17.1 1.0
C G:GLY38 3.5 11.6 1.0
N G:LEU39 3.6 11.9 1.0
CA G:GLY38 3.8 11.3 1.0
O G:GLY38 3.9 11.5 1.0
C28 G:TX1174 4.1 17.0 1.0
C26 G:TX1174 4.1 16.7 1.0
CG G:LEU40 4.1 13.1 1.0
BR23 G:TX1174 4.2 18.2 1.0
CA G:LEU39 4.2 12.5 1.0
C G:LEU39 4.3 12.7 1.0
O20 G:TX1174 4.3 15.2 1.0
CD2 G:TYR47 4.3 19.5 1.0
CD1 G:LEU40 4.4 13.9 1.0
N G:LEU40 4.6 13.0 1.0
CD1 G:ILE52 4.6 14.4 1.0
C27 G:TX1174 4.6 15.8 1.0
O G:LEU39 4.7 12.2 1.0
O G:LEU125 4.7 12.1 1.0
CA G:GLY126 4.7 10.9 1.0
CE2 G:TYR47 4.8 19.2 1.0
CA G:ALA50 4.8 17.2 1.0
CB G:LEU40 5.0 13.2 1.0

Chlorine binding site 8 out of 8 in 3ix4

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Chlorine binding site 8 out of 8 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl174

b:24.9
occ:1.00
 CL31 H:TX1174 0.0 24.9 1.0
C30 H:TX1174 1.8 23.7 1.0
C29 H:TX1174 2.8 23.9 1.0
C25 H:TX1174 2.8 23.0 1.0
O22 H:TX1174 3.1 22.2 1.0
C21 H:TX1174 3.2 22.6 1.0
CB H:ALA50 3.4 22.1 1.0
C H:GLY38 3.5 16.1 1.0
CA H:GLY38 3.7 15.7 1.0
N H:LEU39 3.7 16.5 1.0
O H:GLY38 3.8 15.5 1.0
C28 H:TX1174 4.1 23.2 1.0
C26 H:TX1174 4.1 23.1 1.0
BR23 H:TX1174 4.2 24.6 1.0
O20 H:TX1174 4.3 22.1 1.0
CG H:LEU40 4.3 21.1 1.0
CA H:LEU39 4.4 17.6 1.0
CD1 H:LEU40 4.4 21.4 1.0
CD2 H:TYR47 4.4 26.9 1.0
C H:LEU39 4.5 18.7 1.0
C27 H:TX1174 4.6 23.7 1.0
CA H:GLY126 4.7 15.8 1.0
N H:LEU40 4.8 20.2 1.0
O H:LEU39 4.8 18.8 1.0
N H:GLY38 4.9 15.0 1.0
O H:LEU125 4.9 17.2 1.0
CA H:ALA50 4.9 22.2 1.0

Reference:

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
Page generated: Fri Jul 11 06:38:16 2025

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