Atomistry » Chlorine » PDB 3isv-3jpw » 3ix4
Atomistry »
  Chlorine »
    PDB 3isv-3jpw »
      3ix4 »

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

Go back to Chlorine Binding Sites List in 3ix4
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

Go back to Chlorine Binding Sites List in 3ix4
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

Go back to Chlorine Binding Sites List in 3ix4
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

Go back to Chlorine Binding Sites List in 3ix4
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

Go back to Chlorine Binding Sites List in 3ix4
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

Go back to Chlorine Binding Sites List in 3ix4
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

Go back to Chlorine Binding Sites List in 3ix4
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

Go back to Chlorine Binding Sites List in 3ix4
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: Sat Jul 20 22:02:10 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy