Chlorine 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:

Bromine

(Br)

5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Lasr-TP4 Complex (pdb code 3jpu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Lasr-TP4 Complex, PDB code: 3jpu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl174 b:60.2 occ:1.00 CL17 A:TY4174 0.0 60.2 1.0 C16 A:TY4174 1.8 60.3 1.0 C15 A:TY4174 2.8 60.5 1.0 C11 A:TY4174 2.8 52.9 1.0 C9 A:TY4174 3.1 49.1 1.0 NE1 A:TRP60 3.2 28.2 1.0 N8 A:TY4174 3.6 42.2 1.0 CZ2 A:TRP60 3.6 28.9 1.0 O10 A:TY4174 3.7 46.8 1.0 C5 A:TY4174 3.7 41.2 1.0 CE2 A:TRP60 3.8 28.6 1.0 CD1 A:LEU110 3.8 32.3 1.0 CZ A:PHE101 3.9 15.3 1.0 CE1 A:TYR64 4.0 19.8 1.0 CE2 A:TYR56 4.0 29.9 1.0 C12 A:TY4174 4.0 55.9 1.0 C14 A:TY4174 4.1 58.0 1.0 CD1 A:TYR64 4.1 20.1 1.0 BR19 A:TY4174 4.2 58.8 1.0 CE1 A:PHE101 4.3 19.1 1.0 OD2 A:ASP73 4.4 24.4 1.0 CD1 A:TRP60 4.5 26.3 1.0 C4 A:TY4174 4.5 42.0 1.0 C6 A:TY4174 4.5 37.9 1.0 C13 A:TY4174 4.5 57.7 1.0 C7 A:TY4174 4.6 40.4 1.0 CD2 A:TYR56 4.7 30.5 1.0 OH A:TYR56 4.8 31.3 1.0 CH2 A:TRP60 4.9 24.6 1.0 CZ A:TYR56 4.9 27.4 1.0 CE2 A:PHE101 5.0 19.2 1.0

Chlorine binding site 2 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl174 b:57.6 occ:1.00 CL29 A:TY4174 0.0 57.6 1.0 C28 A:TY4174 1.8 47.4 1.0 C27 A:TY4174 2.7 49.6 1.0 C23 A:TY4174 2.8 44.5 1.0 O22 A:TY4174 2.9 45.5 1.0 C21 A:TY4174 3.0 43.2 1.0 CB A:ALA50 3.4 34.3 1.0 C A:GLY38 3.7 28.5 1.0 N A:LEU39 3.7 28.8 1.0 C26 A:TY4174 3.9 47.9 1.0 CA A:GLY38 4.0 28.1 1.0 C24 A:TY4174 4.1 45.2 1.0 O A:GLY38 4.1 29.6 1.0 CG A:LEU40 4.2 29.6 1.0 CD1 A:TYR47 4.2 36.8 1.0 O20 A:TY4174 4.3 44.2 1.0 C18 A:TY4174 4.3 38.8 1.0 CA A:LEU39 4.4 28.7 1.0 C A:LEU39 4.5 27.9 1.0 C25 A:TY4174 4.5 48.7 1.0 CD1 A:LEU40 4.5 29.5 1.0 CA A:GLY126 4.7 25.3 1.0 CE1 A:TYR47 4.7 37.0 1.0 O A:LEU39 4.8 26.9 1.0 N A:LEU40 4.8 28.2 1.0 CA A:ALA50 4.9 34.5 1.0 O A:LEU125 4.9 25.6 1.0 CG1 A:ILE52 4.9 31.8 1.0

Chlorine binding site 3 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl174 b:68.7 occ:1.00 CL30 A:TY4174 0.0 68.7 1.0 C26 A:TY4174 1.8 47.9 1.0 C27 A:TY4174 2.6 49.6 1.0 C25 A:TY4174 2.8 48.7 1.0 CG A:LEU125 2.9 26.8 1.0 CD1 A:LEU125 3.0 30.0 1.0 CD2 A:LEU125 3.5 29.4 1.0 O A:GLY126 3.6 26.8 1.0 N A:GLY126 3.7 25.4 1.0 CB A:CYS79 3.7 26.4 1.0 C28 A:TY4174 3.9 47.4 1.0 CA A:GLY126 3.9 25.3 1.0 C A:GLY126 4.0 26.5 1.0 C24 A:TY4174 4.1 45.2 1.0 C A:LEU125 4.1 25.0 1.0 CB A:LEU125 4.1 25.2 1.0 CE1 A:TYR47 4.3 37.0 1.0 OH A:TYR47 4.5 37.7 1.0 C23 A:TY4174 4.5 44.5 1.0 OG1 A:THR80 4.6 25.0 1.0 O A:VAL76 4.6 29.7 1.0 CA A:LEU125 4.6 25.2 1.0 O A:LEU125 4.7 25.6 1.0 C A:CYS79 4.7 27.2 1.0 CA A:CYS79 4.8 27.7 1.0 SG A:CYS79 4.8 32.7 1.0 N A:THR80 4.8 25.4 1.0 CZ A:TYR47 4.9 36.8 1.0 N A:ALA127 5.0 26.1 1.0

Chlorine binding site 4 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl174 b:62.6 occ:1.00 CL17 B:TY4174 0.0 62.6 1.0 C16 B:TY4174 1.8 65.8 1.0 C15 B:TY4174 2.8 67.5 1.0 C11 B:TY4174 2.8 61.3 1.0 C9 B:TY4174 3.1 57.4 1.0 NE1 B:TRP60 3.3 39.2 1.0 CZ2 B:TRP60 3.5 38.1 1.0 O10 B:TY4174 3.6 54.2 1.0 N8 B:TY4174 3.6 54.9 1.0 C5 B:TY4174 3.7 55.8 1.0 CE2 B:TRP60 3.7 38.8 1.0 CD1 B:LEU110 3.8 36.6 1.0 CE1 B:TYR64 3.9 33.4 1.0 CD1 B:TYR64 3.9 33.0 1.0 CE2 B:TYR56 4.0 34.8 1.0 CZ B:PHE101 4.0 30.1 1.0 BR19 B:TY4174 4.1 64.5 1.0 C12 B:TY4174 4.1 64.8 1.0 C14 B:TY4174 4.1 65.1 1.0 CE1 B:PHE101 4.3 31.5 1.0 C4 B:TY4174 4.4 56.9 1.0 OD2 B:ASP73 4.5 34.0 1.0 C6 B:TY4174 4.6 54.8 1.0 CD1 B:TRP60 4.6 39.2 1.0 C13 B:TY4174 4.6 66.0 1.0 C7 B:TY4174 4.6 55.1 1.0 CD2 B:TYR56 4.7 35.8 1.0 CH2 B:TRP60 4.7 38.0 1.0 OH B:TYR56 4.8 37.3 1.0 CZ B:TYR56 4.9 36.8 1.0

Chlorine binding site 5 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl174 b:65.6 occ:1.00 CL29 B:TY4174 0.0 65.6 1.0 C28 B:TY4174 1.8 58.7 1.0 C23 B:TY4174 2.7 57.4 1.0 C27 B:TY4174 2.8 58.6 1.0 C21 B:TY4174 3.0 56.1 1.0 O22 B:TY4174 3.1 55.8 1.0 CB B:ALA50 3.5 32.5 1.0 N B:LEU39 3.7 32.5 1.0 C B:GLY38 3.7 33.1 1.0 CA B:GLY38 3.9 32.6 1.0 C24 B:TY4174 4.0 57.7 1.0 O20 B:TY4174 4.0 55.6 1.0 C26 B:TY4174 4.1 60.4 1.0 CG B:LEU40 4.2 38.8 1.0 CD1 B:TYR47 4.2 33.8 1.0 O B:GLY38 4.3 32.1 1.0 C18 B:TY4174 4.3 47.7 1.0 CD1 B:LEU40 4.3 39.7 1.0 CA B:LEU39 4.4 33.5 1.0 C B:LEU39 4.5 34.5 1.0 C25 B:TY4174 4.5 60.1 1.0 N B:LEU40 4.6 35.6 1.0 CE1 B:TYR47 4.7 35.1 1.0 O B:LEU125 4.8 30.2 1.0 CA B:GLY126 4.8 32.4 1.0 O B:LEU39 4.9 34.3 1.0 C1 B:TY4174 4.9 53.9 1.0 CA B:ALA50 5.0 32.2 1.0

Chlorine binding site 6 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl174 b:76.0 occ:1.00 CL30 B:TY4174 0.0 76.0 1.0 C26 B:TY4174 1.8 60.4 1.0 C25 B:TY4174 2.6 60.1 1.0 C27 B:TY4174 2.8 58.6 1.0 CB B:CYS79 3.0 34.1 1.0 CD1 B:LEU125 3.1 30.3 1.0 CG B:LEU125 3.4 32.2 1.0 CD2 B:LEU125 3.7 32.4 1.0 O B:VAL76 3.8 33.9 1.0 C24 B:TY4174 4.0 57.7 1.0 O B:GLY126 4.0 33.8 1.0 C28 B:TY4174 4.1 58.7 1.0 C B:CYS79 4.1 35.2 1.0 N B:THR80 4.1 34.7 1.0 SG B:CYS79 4.1 39.5 1.0 CA B:CYS79 4.2 35.1 1.0 OG1 B:THR80 4.4 37.6 1.0 C B:GLY126 4.4 33.4 1.0 CE1 B:TYR47 4.5 35.1 1.0 N B:GLY126 4.5 31.3 1.0 O B:CYS79 4.5 36.2 1.0 OH B:TYR47 4.5 34.9 1.0 C23 B:TY4174 4.5 57.4 1.0 CG1 B:VAL76 4.6 31.5 1.0 CA B:GLY126 4.7 32.4 1.0 C B:VAL76 4.7 33.6 1.0 CA B:VAL76 4.7 33.2 1.0 CA B:THR80 4.8 34.5 1.0 CB B:LEU125 4.9 30.2 1.0 C B:LEU125 4.9 30.5 1.0 CB B:THR80 4.9 35.0 1.0 N B:CYS79 5.0 34.5 1.0

Chlorine binding site 7 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl174 b:72.4 occ:1.00 CL17 C:TY4174 0.0 72.4 1.0 C16 C:TY4174 1.8 70.7 1.0 C15 C:TY4174 2.8 71.8 1.0 C11 C:TY4174 2.9 65.2 1.0 NE1 C:TRP60 3.0 38.0 1.0 C9 C:TY4174 3.1 62.0 1.0 O10 C:TY4174 3.4 60.3 1.0 C5 C:TY4174 3.4 66.8 1.0 CZ2 C:TRP60 3.6 36.0 1.0 CE2 C:TRP60 3.6 35.2 1.0 CE2 C:TYR56 3.8 34.5 1.0 N8 C:TY4174 3.8 61.1 1.0 BR19 C:TY4174 4.0 78.0 1.0 CE1 C:TYR64 4.0 37.5 1.0 CD1 C:TYR64 4.0 36.5 1.0 C4 C:TY4174 4.1 69.6 1.0 CZ C:PHE101 4.1 36.0 1.0 C14 C:TY4174 4.1 70.0 1.0 C12 C:TY4174 4.1 66.7 1.0 CD1 C:TRP60 4.2 38.7 1.0 CD1 C:LEU110 4.3 41.3 1.0 C6 C:TY4174 4.3 63.9 1.0 CE1 C:PHE101 4.4 36.1 1.0 CD2 C:TYR56 4.4 35.1 1.0 OD2 C:ASP73 4.5 41.7 1.0 C7 C:TY4174 4.6 62.0 1.0 C13 C:TY4174 4.6 69.4 1.0 CZ C:TYR56 4.7 35.0 1.0 OH C:TYR56 4.8 36.8 1.0 CH2 C:TRP60 4.9 34.6 1.0 CD2 C:TRP60 5.0 36.2 1.0

Chlorine binding site 8 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl174 b:75.4 occ:1.00 CL29 C:TY4174 0.0 75.4 1.0 C28 C:TY4174 1.8 68.6 1.0 C27 C:TY4174 2.8 69.5 1.0 C23 C:TY4174 2.8 67.2 1.0 O22 C:TY4174 3.0 66.0 1.0 C21 C:TY4174 3.1 66.0 1.0 C C:GLY38 3.6 35.0 1.0 O C:GLY38 3.7 34.5 1.0 CB C:ALA50 3.8 47.4 1.0 CA C:GLY38 3.9 34.5 1.0 N C:LEU39 4.0 33.5 1.0 C26 C:TY4174 4.0 70.5 1.0 C24 C:TY4174 4.1 66.9 1.0 CD1 C:TYR47 4.1 47.8 1.0 CG C:LEU40 4.2 35.0 1.0 CD1 C:LEU40 4.3 33.7 1.0 O20 C:TY4174 4.3 66.7 1.0 CE1 C:TYR47 4.5 49.2 1.0 C18 C:TY4174 4.5 66.3 1.0 CA C:LEU39 4.5 34.5 1.0 C25 C:TY4174 4.6 68.5 1.0 CA C:GLY126 4.6 37.6 1.0 C C:LEU39 4.6 34.6 1.0 O C:LEU125 4.7 38.4 1.0 N C:LEU40 4.8 35.2 1.0 O C:LEU39 5.0 33.4 1.0

Chlorine binding site 9 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl174 b:79.1 occ:1.00 CL30 C:TY4174 0.0 79.1 1.0 C26 C:TY4174 1.8 70.5 1.0 C25 C:TY4174 2.7 68.5 1.0 C27 C:TY4174 2.8 69.5 1.0 CD1 C:LEU125 3.3 37.1 1.0 CB C:CYS79 3.5 38.3 1.0 CG C:LEU125 3.5 38.5 1.0 CD2 C:LEU125 3.8 38.0 1.0 O C:VAL76 3.9 37.9 1.0 C24 C:TY4174 4.0 66.9 1.0 C28 C:TY4174 4.0 68.6 1.0 OH C:TYR47 4.1 47.4 1.0 O C:GLY126 4.3 36.8 1.0 C C:CYS79 4.4 37.8 1.0 CE1 C:TYR47 4.4 49.2 1.0 OG1 C:THR80 4.4 35.6 1.0 N C:GLY126 4.4 38.1 1.0 N C:THR80 4.4 36.6 1.0 C23 C:TY4174 4.5 67.2 1.0 CG1 C:VAL76 4.5 37.6 1.0 CA C:CYS79 4.5 38.0 1.0 SG C:CYS79 4.6 41.7 1.0 C C:VAL76 4.7 38.2 1.0 C C:GLY126 4.7 36.9 1.0 CA C:GLY126 4.7 37.6 1.0 CA C:VAL76 4.7 38.4 1.0 O C:CYS79 4.7 38.4 1.0 CZ C:TYR47 4.7 49.2 1.0 C C:LEU125 4.8 38.1 1.0 CB C:LEU125 4.9 37.7 1.0

Chlorine binding site 10 out of 15 in the Lasr-TP4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Lasr-TP4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl174 b:70.8 occ:1.00 CL17 D:TY4174 0.0 70.8 1.0 C16 D:TY4174 1.8 68.3 1.0 C11 D:TY4174 2.8 65.5 1.0 C15 D:TY4174 2.9 66.6 1.0 C9 D:TY4174 3.0 65.2 1.0 NE1 D:TRP60 3.2 41.0 1.0 O10 D:TY4174 3.2 63.9 1.0 CE2 D:TYR56 3.4 40.6 1.0 CD1 D:LEU110 3.4 43.9 1.0 C5 D:TY4174 3.6 63.5 1.0 N8 D:TY4174 3.7 63.8 1.0 CZ2 D:TRP60 3.8 38.8 1.0 CE2 D:TRP60 3.8 39.7 1.0 C12 D:TY4174 4.1 63.6 1.0 CD2 D:TYR56 4.1 39.1 1.0 BR19 D:TY4174 4.1 78.8 1.0 C14 D:TY4174 4.2 61.8 1.0 CE1 D:TYR64 4.2 38.1 1.0 CD1 D:TYR64 4.2 39.1 1.0 CD1 D:TRP60 4.3 38.7 1.0 C4 D:TY4174 4.4 65.9 1.0 CZ D:PHE101 4.4 39.4 1.0 CZ D:TYR56 4.4 39.7 1.0 OH D:TYR56 4.4 42.8 1.0 C6 D:TY4174 4.5 64.2 1.0 OD2 D:ASP73 4.6 36.2 1.0 C7 D:TY4174 4.6 63.9 1.0 C13 D:TY4174 4.7 62.2 1.0 CE1 D:PHE101 4.8 39.7 1.0 CG D:LEU110 4.9 41.9 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