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Bromine in PDB 6d6l: The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14

Protein crystallography data

The structure of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14, PDB code: 6d6l was solved by S.H.Dong, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.63
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.120, 84.550, 76.990, 90.00, 101.09, 90.00
R / Rfree (%) 22 / 24

Other elements in 6d6l:

The structure of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 (pdb code 6d6l). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14, PDB code: 6d6l:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 6d6l

Go back to Bromine Binding Sites List in 6d6l
Bromine binding site 1 out of 8 in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br300

b:27.6
occ:1.00
BR1 A:FY4300 0.0 27.6 1.0
C2 A:FY4300 1.9 20.7 1.0
C1 A:FY4300 2.8 20.3 1.0
C3 A:FY4300 2.9 19.6 1.0
O20 A:FY4300 3.1 21.0 1.0
C21 A:FY4300 3.5 23.9 1.0
O22 A:FY4300 3.8 25.0 1.0
CD1 A:ILE52 3.8 15.1 1.0
O A:HOH516 4.1 30.5 1.0
CE1 A:TYR64 4.1 15.0 1.0
C6 A:FY4300 4.1 18.4 1.0
C4 A:FY4300 4.2 18.8 1.0
C26 A:FY4300 4.2 25.2 1.0
C25 A:FY4300 4.4 24.1 1.0
CE2 A:TYR47 4.4 21.0 1.0
O A:HOH423 4.5 19.4 1.0
CD1 A:TYR64 4.6 15.2 1.0
CD2 A:TYR47 4.6 20.8 1.0
C5 A:FY4300 4.7 18.1 1.0
CZ A:TYR64 4.9 15.0 1.0
OD1 A:ASP65 4.9 26.6 1.0
CG1 A:ILE52 4.9 14.4 1.0
CD2 A:LEU36 4.9 11.9 1.0

Bromine binding site 2 out of 8 in 6d6l

Go back to Bromine Binding Sites List in 6d6l
Bromine binding site 2 out of 8 in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br300

b:18.5
occ:1.00
BR2 A:FY4300 0.0 18.5 1.0
C4 A:FY4300 1.9 18.8 1.0
C5 A:FY4300 2.8 18.1 1.0
C3 A:FY4300 2.8 19.6 1.0
NE1 A:TRP60 3.4 16.5 1.0
CD1 A:TRP60 3.5 16.4 1.0
CG A:TYR64 3.6 15.5 1.0
CB A:TYR64 3.6 15.8 1.0
CD2 A:TYR64 3.6 15.2 1.0
CD2 A:TYR56 3.8 11.9 1.0
O19 A:FY4300 3.8 17.4 1.0
CD A:ARG61 4.0 16.5 1.0
O A:HOH423 4.0 19.4 1.0
CE2 A:TRP60 4.1 16.5 1.0
C6 A:FY4300 4.1 18.4 1.0
CA A:ARG61 4.1 16.2 1.0
C2 A:FY4300 4.1 20.7 1.0
CE2 A:TYR56 4.2 11.6 1.0
CD1 A:TYR64 4.2 15.2 1.0
O A:TRP60 4.2 16.1 1.0
CG A:TRP60 4.3 16.2 1.0
CE2 A:TYR64 4.4 15.4 1.0
CD2 A:LEU36 4.4 11.9 1.0
N A:ARG61 4.4 16.1 1.0
C A:TRP60 4.5 15.4 1.0
C1 A:FY4300 4.6 20.3 1.0
CD2 A:TRP60 4.6 16.4 1.0
CG A:ARG61 4.7 16.1 1.0
NE A:ARG61 4.7 16.8 1.0
CZ2 A:TRP60 4.8 16.7 1.0
CE1 A:TYR64 4.8 15.0 1.0
CZ A:TYR64 4.9 15.0 1.0
O A:ARG61 4.9 15.7 1.0
CB A:ARG61 5.0 16.3 1.0
CG A:TYR56 5.0 11.8 1.0

Bromine binding site 3 out of 8 in 6d6l

Go back to Bromine Binding Sites List in 6d6l
Bromine binding site 3 out of 8 in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br300

b:29.2
occ:1.00
BR1 B:FY4300 0.0 29.2 1.0
C2 B:FY4300 1.9 23.8 1.0
C3 B:FY4300 2.8 22.7 1.0
C1 B:FY4300 2.8 23.0 1.0
O20 B:FY4300 3.0 24.8 1.0
C21 B:FY4300 3.5 28.3 1.0
O22 B:FY4300 3.7 29.6 1.0
CE1 B:TYR64 4.0 15.3 1.0
CD1 B:ILE52 4.1 25.3 1.0
C4 B:FY4300 4.1 21.4 1.0
C6 B:FY4300 4.1 21.4 1.0
O B:HOH442 4.1 35.6 1.0
C26 B:FY4300 4.2 31.9 1.0
C25 B:FY4300 4.3 29.9 1.0
CD1 B:TYR64 4.5 16.0 1.0
CE2 B:TYR47 4.5 35.7 1.0
O B:HOH441 4.5 18.8 1.0
C5 B:FY4300 4.7 21.4 1.0
CZ B:TYR64 4.7 15.1 1.0
CD2 B:TYR47 4.8 35.9 1.0
OD1 B:ASP65 4.9 25.6 1.0
CG1 B:ILE52 4.9 25.5 1.0
CD2 B:LEU36 4.9 16.8 1.0
OH B:TYR64 4.9 15.0 1.0

Bromine binding site 4 out of 8 in 6d6l

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Bromine binding site 4 out of 8 in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br300

b:20.7
occ:1.00
BR2 B:FY4300 0.0 20.7 1.0
C4 B:FY4300 1.9 21.4 1.0
C3 B:FY4300 2.8 22.7 1.0
C5 B:FY4300 2.8 21.4 1.0
NE1 B:TRP60 3.3 18.0 1.0
CD1 B:TRP60 3.5 18.8 1.0
CG B:TYR64 3.6 16.3 1.0
CB B:TYR64 3.6 17.6 1.0
CD2 B:TYR64 3.6 16.1 1.0
CD2 B:TYR56 3.8 16.2 1.0
O19 B:FY4300 3.8 18.5 1.0
CD B:ARG61 4.0 17.6 1.0
CE2 B:TRP60 4.0 18.1 1.0
O B:HOH441 4.1 18.8 1.0
O B:TRP60 4.1 17.8 1.0
C2 B:FY4300 4.1 23.8 1.0
CA B:ARG61 4.1 18.1 1.0
CE2 B:TYR56 4.1 16.1 1.0
C6 B:FY4300 4.1 21.4 1.0
CG B:TRP60 4.3 18.1 1.0
CD1 B:TYR64 4.3 16.0 1.0
CD2 B:LEU36 4.3 16.8 1.0
CE2 B:TYR64 4.4 15.5 1.0
N B:ARG61 4.4 17.8 1.0
C B:TRP60 4.4 17.8 1.0
CD2 B:TRP60 4.6 18.1 1.0
C1 B:FY4300 4.6 23.0 1.0
CG B:ARG61 4.7 17.9 1.0
NE B:ARG61 4.7 17.9 1.0
CZ2 B:TRP60 4.8 18.0 1.0
CE1 B:TYR64 4.9 15.3 1.0
CG B:TYR56 4.9 16.5 1.0
CB B:ARG61 4.9 18.1 1.0
CZ B:TYR64 4.9 15.1 1.0
O B:ARG61 4.9 19.1 1.0

Bromine binding site 5 out of 8 in 6d6l

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Bromine binding site 5 out of 8 in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br300

b:29.8
occ:1.00
BR1 C:FY4300 0.0 29.8 1.0
C2 C:FY4300 1.9 24.8 1.0
C1 C:FY4300 2.8 24.2 1.0
C3 C:FY4300 2.8 23.2 1.0
O20 C:FY4300 3.0 25.7 1.0
C21 C:FY4300 3.5 28.2 1.0
O22 C:FY4300 3.7 30.8 1.0
CD1 C:ILE52 3.8 25.6 1.0
O C:HOH469 4.0 27.2 1.0
CE1 C:TYR64 4.1 17.2 1.0
C6 C:FY4300 4.1 22.5 1.0
C4 C:FY4300 4.1 22.8 1.0
C26 C:FY4300 4.3 29.7 1.0
C25 C:FY4300 4.4 29.7 1.0
O C:HOH435 4.4 24.2 1.0
CD1 C:TYR64 4.5 17.6 1.0
CE2 C:TYR47 4.5 42.9 1.0
CG1 C:ILE52 4.7 25.1 1.0
C5 C:FY4300 4.7 22.4 1.0
CD2 C:LEU36 4.7 18.6 1.0
CG2 C:ILE52 4.7 24.7 1.0
CZ C:TYR64 4.8 17.5 1.0
OD1 C:ASP65 4.9 25.4 1.0
CD2 C:TYR47 4.9 44.0 1.0
OH C:TYR64 5.0 16.9 1.0

Bromine binding site 6 out of 8 in 6d6l

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Bromine binding site 6 out of 8 in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br300

b:21.9
occ:1.00
BR2 C:FY4300 0.0 21.9 1.0
C4 C:FY4300 1.9 22.8 1.0
C3 C:FY4300 2.8 23.2 1.0
C5 C:FY4300 2.8 22.4 1.0
NE1 C:TRP60 3.3 17.0 1.0
CD1 C:TRP60 3.5 17.6 1.0
CG C:TYR64 3.6 17.9 1.0
CB C:TYR64 3.6 18.4 1.0
CD2 C:TYR64 3.6 18.0 1.0
O19 C:FY4300 3.7 19.1 1.0
CD2 C:TYR56 3.7 17.1 1.0
CD C:ARG61 4.0 16.7 1.0
CE2 C:TRP60 4.0 17.1 1.0
C2 C:FY4300 4.1 24.8 1.0
CA C:ARG61 4.1 17.8 1.0
O C:TRP60 4.1 16.5 1.0
C6 C:FY4300 4.1 22.5 1.0
O C:HOH435 4.2 24.2 1.0
CE2 C:TYR56 4.2 17.4 1.0
CG C:TRP60 4.3 16.9 1.0
CD1 C:TYR64 4.3 17.6 1.0
CE2 C:TYR64 4.3 17.3 1.0
N C:ARG61 4.4 17.5 1.0
C C:TRP60 4.4 17.0 1.0
CD2 C:LEU36 4.4 18.6 1.0
CD2 C:TRP60 4.5 17.1 1.0
C1 C:FY4300 4.6 24.2 1.0
CG C:ARG61 4.7 17.4 1.0
CZ2 C:TRP60 4.7 17.7 1.0
NE C:ARG61 4.8 16.9 1.0
CE1 C:TYR64 4.9 17.2 1.0
CG C:TYR56 4.9 17.4 1.0
CZ C:TYR64 4.9 17.5 1.0
CB C:ARG61 4.9 18.0 1.0
O C:ARG61 5.0 18.7 1.0

Bromine binding site 7 out of 8 in 6d6l

Go back to Bromine Binding Sites List in 6d6l
Bromine binding site 7 out of 8 in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br300

b:34.3
occ:1.00
BR1 D:FY4300 0.0 34.3 1.0
C2 D:FY4300 1.9 27.9 1.0
C1 D:FY4300 2.8 27.1 1.0
C3 D:FY4300 2.9 25.3 1.0
O20 D:FY4300 3.0 29.0 1.0
C21 D:FY4300 3.7 31.8 1.0
CD1 D:ILE52 3.9 29.2 1.0
CE1 D:TYR64 4.1 21.7 1.0
O22 D:FY4300 4.1 34.0 1.0
C4 D:FY4300 4.1 24.7 1.0
C6 D:FY4300 4.1 24.9 1.0
C26 D:FY4300 4.3 34.0 1.0
O D:HOH462 4.4 39.0 1.0
C25 D:FY4300 4.5 33.2 1.0
CD1 D:TYR64 4.5 22.1 1.0
O D:HOH436 4.6 22.2 1.0
CE1 D:TYR47 4.6 63.6 1.0
CG1 D:ILE52 4.6 29.4 1.0
C5 D:FY4300 4.7 24.4 1.0
CZ D:TYR64 4.7 21.4 1.0
CD1 D:TYR47 4.8 64.4 1.0
CD2 D:LEU36 4.9 17.5 1.0
OH D:TYR64 4.9 21.1 1.0
OD1 D:ASP65 4.9 33.0 1.0

Bromine binding site 8 out of 8 in 6d6l

Go back to Bromine Binding Sites List in 6d6l
Bromine binding site 8 out of 8 in the The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Structure of Ligand Binding Domain of Lasr in Complex with Tp-1 Homolog, Compound 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br300

b:23.5
occ:1.00
BR2 D:FY4300 0.0 23.5 1.0
C4 D:FY4300 1.9 24.7 1.0
C3 D:FY4300 2.8 25.3 1.0
C5 D:FY4300 2.8 24.4 1.0
NE1 D:TRP60 3.3 19.9 1.0
CD1 D:TRP60 3.5 20.2 1.0
CD2 D:TYR64 3.6 21.9 1.0
CG D:TYR64 3.6 22.1 1.0
CB D:TYR64 3.6 23.1 1.0
CD2 D:TYR56 3.7 16.6 1.0
O19 D:FY4300 3.8 22.3 1.0
CD D:ARG61 4.0 18.9 1.0
CE2 D:TRP60 4.1 20.3 1.0
C2 D:FY4300 4.1 27.9 1.0
O D:HOH436 4.1 22.2 1.0
C6 D:FY4300 4.1 24.9 1.0
CE2 D:TYR56 4.2 16.6 1.0
CA D:ARG61 4.2 20.1 1.0
O D:TRP60 4.2 20.8 1.0
CG D:TRP60 4.3 20.2 1.0
CD1 D:TYR64 4.3 22.1 1.0
CE2 D:TYR64 4.3 21.5 1.0
CD2 D:LEU36 4.4 17.5 1.0
N D:ARG61 4.4 19.6 1.0
C D:TRP60 4.5 20.0 1.0
CD2 D:TRP60 4.6 20.4 1.0
C1 D:FY4300 4.6 27.1 1.0
CG D:ARG61 4.7 19.6 1.0
NE D:ARG61 4.7 19.1 1.0
CZ2 D:TRP60 4.8 20.0 1.0
CG D:TYR56 4.9 16.8 1.0
CZ D:TYR64 4.9 21.4 1.0
CE1 D:TYR64 4.9 21.7 1.0
CB D:ARG61 5.0 19.8 1.0
O D:ARG61 5.0 20.8 1.0

Reference:

M.C.O'reilly, S.H.Dong, F.M.Rossi, K.M.Karlen, R.S.Kumar, S.K.Nair, H.E.Blackwell. Structural and Biochemical Studies of Non-Native Agonists of the Lasr Quorum-Sensing Receptor Reveal An L3 Loop "Out" Conformation For Lasr. Cell Chem Biol V. 25 1128 2018.
ISSN: ESSN 2451-9448
PubMed: 30033130
DOI: 10.1016/J.CHEMBIOL.2018.06.007
Page generated: Mon Jul 7 09:39:49 2025

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