Atomistry » Bromine » PDB 7mda-7op6 » 7ndp
Atomistry »
  Bromine »
    PDB 7mda-7op6 »
      7ndp »

Bromine in PDB 7ndp: X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.

Protein crystallography data

The structure of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856., PDB code: 7ndp was solved by D.Cederfelt, P.Boronat, D.Dobritzsch, S.Hennig, E.A.Fitzgerald, I.J.P.Deesch, U.H.Danielson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.53 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.7, 121.1, 241.3, 90, 90, 90
R / Rfree (%) 21.2 / 24.3

Other elements in 7ndp:

The structure of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. (pdb code 7ndp). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856., PDB code: 7ndp:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 7ndp

Go back to Bromine Binding Sites List in 7ndp
Bromine binding site 1 out of 8 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br302

b:160.4
occ:1.00
BR B:U8T302 0.0 160.4 1.0
C3 B:U8T302 1.9 116.4 1.0
C2 B:U8T302 2.8 109.7 1.0
C4 B:U8T302 2.8 114.3 1.0
CE C:LYS53 3.6 80.4 1.0
CD C:LYS53 4.0 75.3 1.0
OE1 C:GLN74 4.0 76.1 1.0
CE2 C:TYR183 4.0 102.2 1.0
CG C:LYS53 4.1 66.8 1.0
C1 B:U8T302 4.1 106.9 1.0
C5 B:U8T302 4.2 109.5 1.0
CB B:CYS206 4.3 93.7 1.0
CD2 C:TYR183 4.5 95.2 1.0
NZ C:LYS53 4.5 87.6 1.0
C B:U8T302 4.7 106.8 1.0
SG B:CYS206 4.9 104.2 1.0

Bromine binding site 2 out of 8 in 7ndp

Go back to Bromine Binding Sites List in 7ndp
Bromine binding site 2 out of 8 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br301

b:146.7
occ:1.00
BR C:U8T301 0.0 146.7 1.0
C3 C:U8T301 1.9 115.8 1.0
C4 C:U8T301 2.8 116.5 1.0
C2 C:U8T301 2.9 105.7 1.0
OE1 D:GLN74 3.4 75.3 1.0
CE D:LYS53 3.5 67.0 1.0
OH D:TYR183 3.8 129.7 1.0
CB C:CYS206 3.9 104.7 1.0
SG C:CYS206 4.1 123.9 1.0
C5 C:U8T301 4.1 112.7 1.0
CE2 D:TYR183 4.2 98.3 1.0
CZ D:TYR183 4.2 110.6 1.0
CD D:LYS53 4.2 64.6 1.0
C1 C:U8T301 4.2 97.1 1.0
CG D:LYS53 4.3 57.7 1.0
NZ D:LYS53 4.5 73.0 1.0
CE D:MET133 4.5 68.3 1.0
SD D:MET133 4.5 64.2 1.0
CD D:GLN74 4.6 64.2 1.0
C C:U8T301 4.7 97.3 1.0

Bromine binding site 3 out of 8 in 7ndp

Go back to Bromine Binding Sites List in 7ndp
Bromine binding site 3 out of 8 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br303

b:110.3
occ:1.00
BR D:U8T303 0.0 110.3 1.0
C3 D:U8T303 1.9 79.4 1.0
C4 D:U8T303 2.7 66.0 1.0
C2 D:U8T303 2.9 68.7 1.0
CE E:LYS53 3.5 66.8 1.0
CD E:LYS53 3.8 59.4 1.0
CG E:LYS53 3.8 54.9 1.0
C5 D:U8T303 4.0 66.1 1.0
CE2 E:TYR183 4.1 57.4 1.0
C1 D:U8T303 4.2 71.6 1.0
CD2 E:TYR183 4.4 54.5 1.0
NZ E:LYS53 4.5 65.0 1.0
C D:U8T303 4.6 64.8 1.0
NE2 E:GLN74 4.8 69.1 1.0
CB E:LYS53 4.8 54.3 1.0

Bromine binding site 4 out of 8 in 7ndp

Go back to Bromine Binding Sites List in 7ndp
Bromine binding site 4 out of 8 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br402

b:125.7
occ:1.00
BR E:U8T402 0.0 125.7 1.0
C3 E:U8T402 1.9 119.5 1.0
C2 E:U8T402 2.9 115.4 1.0
C4 E:U8T402 2.9 108.0 1.0
O3 A:GOL303 3.2 83.3 1.0
CH2 A:TRP72 3.7 63.4 1.0
C3 A:GOL303 3.8 83.7 1.0
CD1 A:TYR183 4.1 79.5 1.0
OH E:TYR204 4.1 67.5 1.0
CE1 E:TYR204 4.2 62.5 1.0
C1 E:U8T402 4.2 97.7 1.0
C5 E:U8T402 4.3 100.6 1.0
CD2 E:TYR108 4.4 85.9 1.0
CZ2 A:TRP72 4.5 58.8 1.0
CZ E:TYR204 4.6 67.6 1.0
CZ3 A:TRP72 4.6 58.8 1.0
CG A:TYR183 4.7 72.3 1.0
CE1 A:TYR183 4.7 86.8 1.0
C E:U8T402 4.8 95.4 1.0
CG E:TYR108 4.8 67.3 1.0
CB E:TYR108 4.8 58.4 1.0
CB A:TYR183 4.8 66.8 1.0
CE2 E:TYR108 5.0 88.8 1.0

Bromine binding site 5 out of 8 in 7ndp

Go back to Bromine Binding Sites List in 7ndp
Bromine binding site 5 out of 8 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br302

b:118.0
occ:1.00
BR G:U8T302 0.0 118.0 1.0
C3 G:U8T302 1.9 97.0 1.0
C2 G:U8T302 2.7 90.8 1.0
C4 G:U8T302 2.9 98.9 1.0
OD2 H:ASP179 3.0 50.0 1.0
CE H:LYS53 3.6 47.1 1.0
CG H:ASP179 3.9 46.9 1.0
CE2 H:TYR183 3.9 51.1 1.0
NE2 H:GLN74 3.9 58.4 1.0
C1 G:U8T302 4.0 85.0 1.0
CD H:LYS53 4.0 45.7 1.0
CB G:CYS206 4.1 63.0 1.0
CG H:LYS53 4.1 42.1 1.0
C5 G:U8T302 4.2 93.0 1.0
SG G:CYS206 4.3 75.9 1.0
NZ H:LYS53 4.5 49.5 1.0
OD1 H:ASP179 4.5 44.1 1.0
CD2 H:TYR183 4.6 45.6 1.0
SD H:MET133 4.6 54.5 1.0
OH H:TYR183 4.6 63.6 1.0
C G:U8T302 4.6 93.1 1.0
CZ H:TYR183 4.6 54.9 1.0
CB H:ASP179 4.7 50.7 1.0
CD H:GLN74 4.9 50.1 1.0

Bromine binding site 6 out of 8 in 7ndp

Go back to Bromine Binding Sites List in 7ndp
Bromine binding site 6 out of 8 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br302

b:139.3
occ:1.00
BR H:U8T302 0.0 139.3 1.0
C3 H:U8T302 1.9 101.2 1.0
C4 H:U8T302 2.8 86.5 1.0
C2 H:U8T302 2.9 88.0 1.0
CE I:LYS53 3.5 70.0 1.0
CB H:CYS206 4.0 97.2 1.0
NE2 I:GLN74 4.1 66.5 1.0
C5 H:U8T302 4.1 87.2 1.0
OH I:TYR183 4.1 96.2 1.0
C1 H:U8T302 4.1 84.3 1.0
CD I:GLN74 4.3 60.8 1.0
SG H:CYS206 4.3 103.8 1.0
OE1 I:GLN74 4.3 64.6 1.0
CE2 I:TYR183 4.4 76.1 1.0
CD I:LYS53 4.4 65.4 1.0
CE I:MET133 4.4 65.3 1.0
NZ I:LYS53 4.4 73.7 1.0
CZ I:TYR183 4.5 86.7 1.0
CG I:LYS53 4.6 57.0 1.0
C H:U8T302 4.6 86.3 1.0
SD I:MET133 4.6 57.9 1.0

Bromine binding site 7 out of 8 in 7ndp

Go back to Bromine Binding Sites List in 7ndp
Bromine binding site 7 out of 8 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Br301

b:153.5
occ:1.00
BR I:U8T301 0.0 153.5 1.0
C3 I:U8T301 1.9 99.9 1.0
C2 I:U8T301 2.8 87.3 1.0
C4 I:U8T301 2.8 95.7 1.0
CE J:LYS53 3.4 78.4 1.0
NE2 J:GLN74 3.7 67.0 1.0
C1 I:U8T301 4.1 77.9 1.0
CD J:LYS53 4.1 71.6 1.0
NZ J:LYS53 4.1 81.1 1.0
C5 I:U8T301 4.1 85.9 1.0
CD J:GLN74 4.2 65.5 1.0
OE1 J:GLN74 4.2 66.6 1.0
CG J:LYS53 4.4 63.2 1.0
C I:U8T301 4.6 72.2 1.0
CE J:MET133 4.7 64.3 1.0
CB I:CYS206 4.7 97.0 1.0
SD J:MET133 4.8 59.9 1.0
SG I:CYS206 4.8 121.0 1.0

Bromine binding site 8 out of 8 in 7ndp

Go back to Bromine Binding Sites List in 7ndp
Bromine binding site 8 out of 8 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL001856. within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Br302

b:107.5
occ:1.00
BR J:U8T302 0.0 107.5 1.0
C3 J:U8T302 1.9 98.1 1.0
C4 J:U8T302 2.9 93.9 1.0
C2 J:U8T302 2.9 91.6 1.0
CH2 F:TRP72 3.5 54.9 1.0
OH J:TYR204 3.7 66.0 1.0
CE1 J:TYR204 3.9 59.4 1.0
CD1 F:TYR183 4.0 65.7 1.0
CZ J:TYR204 4.2 63.9 1.0
CZ3 F:TRP72 4.2 51.2 1.0
C5 J:U8T302 4.2 86.8 1.0
C1 J:U8T302 4.3 88.5 1.0
CZ2 F:TRP72 4.4 58.4 1.0
CE1 F:TYR183 4.4 72.9 1.0
CG F:TYR183 4.6 59.6 1.0
CG J:TYR108 4.8 56.4 1.0
C J:U8T302 4.8 84.3 1.0
CB F:TYR183 4.8 57.8 1.0
CD2 J:TYR108 4.9 68.5 1.0
CD1 J:TYR204 4.9 54.9 1.0
CB J:TYR108 5.0 48.8 1.0

Reference:

E.A.Fitzgerald, M.T.Butko, P.Boronat, D.Cederfelt, M.Abramsson, H.Ludviksdottir, J.E.Van Muijlwijk-Koezen, I.J.P.De Esch, D.Dobritzsch, T.Young, U.H.Danielson. Discovery of Fragments Inducing Conformational Effects in Dynamic Proteins Using A Second-Harmonic Generation Biosensor Rsc Adv 2021.
ISSN: ESSN 2046-2069
Page generated: Mon Jul 7 11:29:59 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy