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Bromine 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:

Chlorine (Cl) 8 atoms

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Bromine atom in the Lasr-TP1 Complex (pdb code 3ix4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 16 binding sites of Bromine where determined in the Lasr-TP1 Complex, PDB code: 3ix4:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 16 in 3ix4

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Bromine binding site 1 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br174

b:23.8
occ:1.00
BR23 A:TX1174 0.0 23.8 1.0
C2 A:TX1174 1.9 21.7 1.0
C3 A:TX1174 2.9 21.0 1.0
C1 A:TX1174 2.9 20.8 1.0
O20 A:TX1174 3.1 21.3 1.0
C21 A:TX1174 3.4 22.8 1.0
O22 A:TX1174 3.5 22.7 1.0
O A:TYR47 3.5 31.1 1.0
O A:HOH187 3.8 25.6 1.0
CD1 A:ILE52 4.0 23.8 1.0
CE2 A:TYR64 4.1 18.1 1.0
C4 A:TX1174 4.2 21.3 1.0
CB A:TYR47 4.2 30.8 1.0
C6 A:TX1174 4.3 20.8 1.0
C A:TYR47 4.3 31.0 1.0
CL31 A:TX1174 4.3 25.1 1.0
O A:HOH622 4.3 32.3 1.0
C25 A:TX1174 4.3 23.1 1.0
CB A:ALA50 4.5 26.7 1.0
CD2 A:TYR64 4.6 19.6 1.0
CA A:TYR47 4.6 30.9 1.0
O A:HOH191 4.7 27.9 1.0
CD2 A:TYR47 4.7 29.2 1.0
C5 A:TX1174 4.7 20.7 1.0
C30 A:TX1174 4.7 23.6 1.0
CG1 A:ILE52 4.8 23.4 1.0
CZ A:TYR64 4.8 19.0 1.0
OH A:TYR64 4.9 19.6 1.0
CG A:TYR47 5.0 29.9 1.0
OD1 A:ASP65 5.0 26.4 1.0

Bromine binding site 2 out of 16 in 3ix4

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Bromine binding site 2 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br174

b:21.0
occ:1.00
BR24 A:TX1174 0.0 21.0 1.0
C4 A:TX1174 1.9 21.3 1.0
C3 A:TX1174 2.8 21.0 1.0
C5 A:TX1174 2.8 20.7 1.0
CG A:TYR64 3.5 19.6 1.0
CD1 A:TYR64 3.5 19.4 1.0
CB A:TYR64 3.6 20.5 1.0
NE1 A:TRP60 3.7 16.4 1.0
CD1 A:LEU36 3.8 19.0 1.0
CD1 A:TYR56 3.9 16.5 1.0
O19 A:TX1174 3.9 20.6 1.0
CD1 A:TRP60 4.0 17.2 1.0
CG A:ARG61 4.0 20.8 1.0
CA A:ARG61 4.0 18.9 1.0
C2 A:TX1174 4.1 21.7 1.0
O A:HOH191 4.1 27.9 1.0
C6 A:TX1174 4.1 20.8 1.0
CD2 A:TYR64 4.2 19.6 1.0
CE1 A:TYR56 4.2 17.3 1.0
CE1 A:TYR64 4.2 18.4 1.0
CE2 A:TRP60 4.4 17.4 1.0
CB A:ARG61 4.5 19.1 1.0
N A:ARG61 4.6 17.9 1.0
O A:TRP60 4.6 17.6 1.0
C1 A:TX1174 4.7 20.8 1.0
CE2 A:TYR64 4.8 18.1 1.0
CZ A:TYR64 4.8 19.0 1.0
O A:ARG61 4.8 19.3 1.0
CG A:TRP60 4.8 17.2 1.0
C A:TRP60 4.9 17.6 1.0
C A:ARG61 5.0 19.1 1.0

Bromine binding site 3 out of 16 in 3ix4

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Bromine binding site 3 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br174

b:19.3
occ:1.00
BR23 B:TX1174 0.0 19.3 1.0
C2 B:TX1174 1.9 16.6 1.0
C3 B:TX1174 2.9 16.2 1.0
C1 B:TX1174 2.9 15.4 1.0
O20 B:TX1174 3.1 16.4 1.0
C21 B:TX1174 3.4 16.9 1.0
O22 B:TX1174 3.5 16.2 1.0
O B:TYR47 3.6 24.0 1.0
O B:HOH205 3.7 19.6 1.0
CE2 B:TYR64 4.1 13.1 1.0
O B:HOH188 4.1 24.9 1.0
CD1 B:ILE52 4.1 17.9 1.0
C4 B:TX1174 4.2 16.4 1.0
CL31 B:TX1174 4.2 19.8 1.0
CB B:TYR47 4.2 23.4 1.0
C6 B:TX1174 4.3 15.7 1.0
C B:TYR47 4.3 24.0 1.0
C25 B:TX1174 4.4 17.2 1.0
CD2 B:TYR47 4.5 21.8 1.0
CB B:ALA50 4.5 19.5 1.0
CD2 B:TYR64 4.6 13.1 1.0
CA B:TYR47 4.6 23.7 1.0
O B:HOH219 4.7 26.6 1.0
C5 B:TX1174 4.7 15.8 1.0
CZ B:TYR64 4.7 13.2 1.0
C30 B:TX1174 4.7 17.3 1.0
CG1 B:ILE52 4.9 17.0 1.0
OH B:TYR64 4.9 13.8 1.0
CG B:TYR47 4.9 22.8 1.0
OD1 B:ASP65 5.0 19.5 1.0

Bromine binding site 4 out of 16 in 3ix4

Go back to Bromine Binding Sites List in 3ix4
Bromine binding site 4 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br174

b:16.8
occ:1.00
BR24 B:TX1174 0.0 16.8 1.0
C4 B:TX1174 1.9 16.4 1.0
C3 B:TX1174 2.8 16.2 1.0
C5 B:TX1174 2.8 15.8 1.0
CD1 B:TYR64 3.5 13.9 1.0
CG B:TYR64 3.6 13.7 1.0
CD1 B:LEU36 3.7 15.0 1.0
CB B:TYR64 3.7 14.6 1.0
NE1 B:TRP60 3.7 14.4 1.0
O19 B:TX1174 3.8 17.0 1.0
CD1 B:TYR56 3.8 13.5 1.0
CD1 B:TRP60 4.0 15.3 1.0
CG B:ARG61 4.0 15.0 1.0
CA B:ARG61 4.0 14.4 1.0
O B:HOH219 4.1 26.6 1.0
C2 B:TX1174 4.1 16.6 1.0
C6 B:TX1174 4.1 15.7 1.0
CE1 B:TYR56 4.2 13.3 1.0
CE1 B:TYR64 4.2 11.9 1.0
CD2 B:TYR64 4.3 13.1 1.0
CE2 B:TRP60 4.5 15.2 1.0
CB B:ARG61 4.5 13.9 1.0
N B:ARG61 4.6 13.9 1.0
O B:TRP60 4.7 13.4 1.0
C1 B:TX1174 4.7 15.4 1.0
CZ B:TYR64 4.8 13.2 1.0
O B:ARG61 4.9 13.7 1.0
CE2 B:TYR64 4.9 13.1 1.0
CG B:TRP60 4.9 14.6 1.0
C B:TRP60 4.9 14.0 1.0
C B:ARG61 5.0 14.1 1.0

Bromine binding site 5 out of 16 in 3ix4

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Bromine binding site 5 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br174

b:23.9
occ:1.00
BR23 C:TX1174 0.0 23.9 1.0
C2 C:TX1174 1.9 20.6 1.0
C3 C:TX1174 2.9 20.6 1.0
C1 C:TX1174 2.9 20.8 1.0
O20 C:TX1174 3.1 21.1 1.0
O C:TYR47 3.4 28.1 1.0
O22 C:TX1174 3.4 21.3 1.0
C21 C:TX1174 3.4 22.1 1.0
O C:HOH286 3.8 20.9 1.0
O C:HOH397 4.0 28.3 1.0
CD1 C:ILE52 4.0 22.0 1.0
C4 C:TX1174 4.2 21.1 1.0
CL31 C:TX1174 4.2 23.7 1.0
CB C:TYR47 4.2 27.8 1.0
CE2 C:TYR64 4.2 21.4 1.0
C C:TYR47 4.2 28.1 1.0
C6 C:TX1174 4.3 20.7 1.0
C25 C:TX1174 4.4 21.6 1.0
CA C:TYR47 4.5 27.9 1.0
CD2 C:TYR47 4.6 26.7 1.0
O C:HOH498 4.6 29.8 1.0
CB C:ALA50 4.6 22.8 1.0
CD2 C:TYR64 4.6 21.7 1.0
CG1 C:ILE52 4.7 20.0 1.0
C5 C:TX1174 4.7 21.0 1.0
C30 C:TX1174 4.8 21.9 1.0
CG C:TYR47 4.9 27.4 1.0
CZ C:TYR64 4.9 20.8 1.0
OD1 C:ASP65 4.9 27.3 1.0

Bromine binding site 6 out of 16 in 3ix4

Go back to Bromine Binding Sites List in 3ix4
Bromine binding site 6 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br174

b:21.7
occ:1.00
BR24 C:TX1174 0.0 21.7 1.0
C4 C:TX1174 1.9 21.1 1.0
C5 C:TX1174 2.8 21.0 1.0
C3 C:TX1174 2.8 20.6 1.0
CG C:TYR64 3.6 21.7 1.0
CD1 C:TYR64 3.6 21.7 1.0
CB C:TYR64 3.7 22.2 1.0
NE1 C:TRP60 3.7 21.8 1.0
CD1 C:LEU36 3.8 19.5 1.0
O19 C:TX1174 3.9 21.5 1.0
CD1 C:TYR56 3.9 16.9 1.0
CG C:ARG61 3.9 20.9 1.0
CD1 C:TRP60 3.9 21.1 1.0
CA C:ARG61 4.0 20.9 1.0
O C:HOH498 4.0 29.8 1.0
C6 C:TX1174 4.1 20.7 1.0
C2 C:TX1174 4.1 20.6 1.0
CD2 C:TYR64 4.2 21.7 1.0
CE1 C:TYR56 4.2 16.4 1.0
CE1 C:TYR64 4.3 20.8 1.0
CB C:ARG61 4.4 20.8 1.0
N C:ARG61 4.5 20.5 1.0
CE2 C:TRP60 4.6 22.1 1.0
O C:TRP60 4.6 20.7 1.0
C1 C:TX1174 4.7 20.8 1.0
CE2 C:TYR64 4.8 21.4 1.0
C C:TRP60 4.8 20.8 1.0
CZ C:TYR64 4.9 20.8 1.0
CG C:TRP60 4.9 21.2 1.0
O C:ARG61 4.9 20.4 1.0
C C:ARG61 5.0 21.1 1.0

Bromine binding site 7 out of 16 in 3ix4

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Bromine binding site 7 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br174

b:18.0
occ:1.00
BR23 D:TX1174 0.0 18.0 1.0
C2 D:TX1174 1.9 15.8 1.0
C3 D:TX1174 2.9 14.8 1.0
C1 D:TX1174 2.9 14.6 1.0
O20 D:TX1174 3.1 14.5 1.0
C21 D:TX1174 3.4 14.9 1.0
O22 D:TX1174 3.4 14.9 1.0
O D:TYR47 3.5 21.6 1.0
O D:HOH176 3.6 22.5 1.0
CD1 D:ILE52 4.0 15.2 1.0
CE2 D:TYR64 4.0 11.8 1.0
O D:HOH981 4.1 28.9 1.0
C4 D:TX1174 4.2 15.3 1.0
CB D:TYR47 4.2 21.4 1.0
C D:TYR47 4.3 21.9 1.0
C6 D:TX1174 4.3 14.9 1.0
CL31 D:TX1174 4.3 18.8 1.0
C25 D:TX1174 4.4 14.9 1.0
CA D:TYR47 4.5 21.8 1.0
CB D:ALA50 4.6 16.5 1.0
CD2 D:TYR64 4.6 11.9 1.0
C5 D:TX1174 4.7 14.9 1.0
CZ D:TYR64 4.7 11.9 1.0
CG1 D:ILE52 4.7 14.1 1.0
C30 D:TX1174 4.7 16.0 1.0
O D:HOH243 4.8 25.3 1.0
OH D:TYR64 4.8 13.1 1.0
CD2 D:TYR47 4.9 20.0 1.0
OD1 D:ASP65 5.0 20.8 1.0
CG D:TYR47 5.0 20.4 1.0

Bromine binding site 8 out of 16 in 3ix4

Go back to Bromine Binding Sites List in 3ix4
Bromine binding site 8 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br174

b:15.6
occ:1.00
BR24 D:TX1174 0.0 15.6 1.0
C4 D:TX1174 1.9 15.3 1.0
C3 D:TX1174 2.8 14.8 1.0
C5 D:TX1174 2.8 14.9 1.0
CG D:TYR64 3.6 13.3 1.0
CD1 D:TYR64 3.6 12.4 1.0
CB D:TYR64 3.7 14.1 1.0
CD1 D:LEU36 3.7 15.3 1.0
NE1 D:TRP60 3.7 14.6 1.0
O19 D:TX1174 3.8 18.7 1.0
CD1 D:TYR56 3.9 12.4 1.0
O D:HOH243 3.9 25.3 1.0
CA D:ARG61 4.0 12.9 1.0
CD1 D:TRP60 4.0 15.1 1.0
CG D:ARG61 4.0 12.7 1.0
C2 D:TX1174 4.1 15.8 1.0
C6 D:TX1174 4.2 14.9 1.0
CD2 D:TYR64 4.2 11.9 1.0
CE1 D:TYR64 4.3 11.4 1.0
CE1 D:TYR56 4.3 12.4 1.0
CB D:ARG61 4.5 12.9 1.0
CE2 D:TRP60 4.5 15.1 1.0
N D:ARG61 4.6 12.6 1.0
O D:TRP60 4.7 12.3 1.0
C1 D:TX1174 4.7 14.6 1.0
CE2 D:TYR64 4.7 11.8 1.0
CZ D:TYR64 4.8 11.9 1.0
O D:ARG61 4.8 12.3 1.0
C D:TRP60 4.9 13.1 1.0
CG D:TRP60 4.9 14.2 1.0
C D:ARG61 4.9 12.8 1.0

Bromine binding site 9 out of 16 in 3ix4

Go back to Bromine Binding Sites List in 3ix4
Bromine binding site 9 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br174

b:19.2
occ:1.00
BR23 E:TX1174 0.0 19.2 1.0
C2 E:TX1174 1.9 16.6 1.0
C3 E:TX1174 2.9 16.2 1.0
C1 E:TX1174 2.9 16.7 1.0
O20 E:TX1174 3.1 15.8 1.0
C21 E:TX1174 3.4 17.3 1.0
O E:TYR47 3.5 23.0 1.0
O22 E:TX1174 3.5 15.8 1.0
O E:HOH186 3.7 20.1 1.0
CD1 E:ILE52 4.0 17.8 1.0
CE2 E:TYR64 4.1 13.2 1.0
C4 E:TX1174 4.1 16.6 1.0
O E:HOH490 4.2 30.3 1.0
CL31 E:TX1174 4.2 20.4 1.0
CB E:TYR47 4.2 22.9 1.0
C6 E:TX1174 4.2 16.1 1.0
C E:TYR47 4.3 23.1 1.0
C25 E:TX1174 4.4 17.0 1.0
CD2 E:TYR64 4.6 13.6 1.0
CA E:TYR47 4.6 22.8 1.0
CD2 E:TYR47 4.6 22.5 1.0
CB E:ALA50 4.6 18.0 1.0
C5 E:TX1174 4.7 16.2 1.0
C30 E:TX1174 4.7 17.9 1.0
CG1 E:ILE52 4.8 15.3 1.0
CZ E:TYR64 4.8 13.2 1.0
O E:HOH218 4.9 26.1 1.0
OD1 E:ASP65 4.9 21.6 1.0
CG E:TYR47 4.9 22.4 1.0
OH E:TYR64 4.9 14.3 1.0

Bromine binding site 10 out of 16 in 3ix4

Go back to Bromine Binding Sites List in 3ix4
Bromine binding site 10 out of 16 in the Lasr-TP1 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Lasr-TP1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br174

b:17.6
occ:1.00
BR24 E:TX1174 0.0 17.6 1.0
C4 E:TX1174 1.9 16.6 1.0
C5 E:TX1174 2.8 16.2 1.0
C3 E:TX1174 2.8 16.2 1.0
CD1 E:TYR64 3.6 14.3 1.0
CG E:TYR64 3.6 14.3 1.0
CD1 E:LEU36 3.7 16.6 1.0
CB E:TYR64 3.7 15.8 1.0
O19 E:TX1174 3.8 18.4 1.0
NE1 E:TRP60 3.8 16.1 1.0
CD1 E:TYR56 3.9 13.7 1.0
O E:HOH218 3.9 26.1 1.0
CG E:ARG61 4.0 16.6 1.0
CD1 E:TRP60 4.0 15.9 1.0
CA E:ARG61 4.0 16.1 1.0
C2 E:TX1174 4.1 16.6 1.0
C6 E:TX1174 4.1 16.1 1.0
CE1 E:TYR56 4.2 14.0 1.0
CE1 E:TYR64 4.2 12.0 1.0
CD2 E:TYR64 4.3 13.6 1.0
CB E:ARG61 4.4 15.8 1.0
N E:ARG61 4.6 15.1 1.0
CE2 E:TRP60 4.6 15.7 1.0
O E:TRP60 4.7 14.5 1.0
C1 E:TX1174 4.7 16.7 1.0
CZ E:TYR64 4.8 13.2 1.0
CE2 E:TYR64 4.8 13.2 1.0
C E:TRP60 4.9 15.1 1.0
CG E:TRP60 4.9 15.3 1.0
O E:ARG61 4.9 16.2 1.0
C E:ARG61 5.0 15.8 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: Wed Jul 10 19:45:10 2024

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