Atomistry » Bromine » PDB 3gw6-3jtk » 3imt
Atomistry »
  Bromine »
    PDB 3gw6-3jtk »
      3imt »

Bromine in PDB 3imt: Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol

Protein crystallography data

The structure of Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol, PDB code: 3imt was solved by S.Connelly, I.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.40
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 42.260, 84.785, 63.238, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 19

Bromine Binding Sites:

The binding sites of Bromine atom in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol (pdb code 3imt). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol, PDB code: 3imt:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 3imt

Go back to Bromine Binding Sites List in 3imt
Bromine binding site 1 out of 8 in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br128

b:25.1
occ:0.40
BRAC A:IW3128 0.0 25.1 0.4
CAH A:IW3128 1.6 27.1 0.1
CAO A:IW3128 1.9 20.4 0.4
CAM A:IW3128 2.6 27.6 0.1
CAJ A:IW3128 2.7 26.8 0.1
NAA A:IW3128 2.8 27.7 0.1
CAN A:IW3128 2.8 21.8 0.4
CAK A:IW3128 2.9 18.2 0.4
OAB A:IW3128 3.0 21.5 0.4
NZ A:LYS15 3.8 25.9 1.0
CAG A:IW3128 3.9 26.7 0.1
CAQ A:IW3128 4.0 27.1 0.1
CAP A:IW3128 4.1 22.4 0.4
CE A:LYS15 4.1 20.7 1.0
CAR A:IW3128 4.2 16.9 0.4
CAI A:IW3128 4.5 26.9 0.1
CD1 A:LEU17 4.6 18.1 1.0
CAL A:IW3128 4.7 20.8 0.4
CAF A:IW3128 4.9 27.9 0.1
CD A:LYS15 5.0 20.1 1.0

Bromine binding site 2 out of 8 in 3imt

Go back to Bromine Binding Sites List in 3imt
Bromine binding site 2 out of 8 in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br128

b:36.5
occ:0.10
BRAC A:IW3128 0.0 36.5 0.1
CAH A:IW3128 1.6 19.5 0.4
CAO A:IW3128 1.9 31.0 0.1
CAJ A:IW3128 2.1 18.9 0.4
CAN A:IW3128 2.8 28.8 0.1
CAM A:IW3128 2.8 18.8 0.4
CAK A:IW3128 2.9 29.9 0.1
OAB A:IW3128 3.0 29.1 0.1
NAA A:IW3128 3.4 19.1 0.4
CAQ A:IW3128 3.5 18.5 0.4
CD2 A:LEU110 3.7 15.9 1.0
CAG A:IW3128 3.9 20.1 0.4
CAP A:IW3128 4.1 26.9 0.1
CAR A:IW3128 4.2 28.3 0.1
CAI A:IW3128 4.2 17.7 0.4
CAE A:IW3128 4.5 17.1 0.4
CAL A:IW3128 4.7 27.4 0.1

Bromine binding site 3 out of 8 in 3imt

Go back to Bromine Binding Sites List in 3imt
Bromine binding site 3 out of 8 in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br128

b:28.2
occ:0.40
BRAD A:IW3128 0.0 28.2 0.4
CAG A:IW3128 1.8 26.7 0.1
CAP A:IW3128 1.9 22.4 0.4
CAI A:IW3128 2.0 26.9 0.1
CAN A:IW3128 2.8 21.8 0.4
CAL A:IW3128 2.9 20.8 0.4
OAB A:IW3128 3.0 21.5 0.4
CAM A:IW3128 3.1 27.6 0.1
CAQ A:IW3128 3.4 27.1 0.1
NAA A:IW3128 3.7 27.7 0.1
CG2 A:THR106 3.9 20.1 1.0
CAO A:IW3128 4.1 20.4 0.4
CAH A:IW3128 4.2 27.1 0.1
CAR A:IW3128 4.2 16.9 0.4
CAJ A:IW3128 4.2 26.8 0.1
CD A:LYS15 4.3 20.1 1.0
CAE A:IW3128 4.5 27.3 0.1
CAK A:IW3128 4.7 18.2 0.4
CE A:MET13 4.8 25.9 1.0
CB A:THR106 5.0 16.3 1.0

Bromine binding site 4 out of 8 in 3imt

Go back to Bromine Binding Sites List in 3imt
Bromine binding site 4 out of 8 in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br128

b:22.4
occ:0.10
BRAD A:IW3128 0.0 22.4 0.1
CAG A:IW3128 1.8 20.1 0.4
CAP A:IW3128 1.9 26.9 0.1
CAI A:IW3128 2.2 17.7 0.4
CAL A:IW3128 2.8 27.4 0.1
CAN A:IW3128 2.8 28.8 0.1
CAM A:IW3128 3.0 18.8 0.4
OAB A:IW3128 3.1 29.1 0.1
O A:SER117 3.3 14.5 1.0
CA A:THR118 3.5 14.2 1.0
C A:SER117 3.5 13.7 1.0
OG A:SER117 3.5 19.5 0.5
CAQ A:IW3128 3.6 18.5 0.4
OG A:SER117 3.6 9.7 0.2
N A:THR119 3.6 13.9 1.0
NAA A:IW3128 3.6 19.1 0.4
O A:ALA108 3.6 16.6 1.0
N A:THR118 3.6 13.2 1.0
C A:THR118 3.6 14.4 1.0
CB A:SER117 3.9 11.1 0.2
N A:LEU110 4.0 12.0 1.0
C A:ALA108 4.1 14.5 1.0
CAH A:IW3128 4.1 19.5 0.4
CB A:SER117 4.1 23.0 0.2
CAR A:IW3128 4.1 28.3 0.1
CA A:ALA109 4.1 12.8 1.0
CAO A:IW3128 4.1 31.0 0.1
CB A:SER117 4.2 14.4 0.5
CG2 A:THR119 4.2 16.1 1.0
CB A:LEU110 4.2 13.6 1.0
C A:ALA109 4.3 13.6 1.0
CAJ A:IW3128 4.3 18.9 0.4
CB A:THR119 4.3 14.4 1.0
N A:ALA109 4.3 14.2 1.0
O A:THR118 4.4 16.2 1.0
CA A:SER117 4.4 12.8 0.2
CA A:SER117 4.4 13.8 0.2
CA A:SER117 4.5 14.6 0.5
CAE A:IW3128 4.5 17.1 0.4
CA A:THR119 4.6 13.6 1.0
CAK A:IW3128 4.7 29.9 0.1
CB A:ALA108 4.7 15.8 1.0
CAF A:IW3128 4.7 16.4 0.4
CA A:LEU110 4.8 12.5 1.0
CB A:THR118 4.9 16.5 1.0

Bromine binding site 5 out of 8 in 3imt

Go back to Bromine Binding Sites List in 3imt
Bromine binding site 5 out of 8 in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br128

b:28.7
occ:0.40
BRAC B:IW3128 0.0 28.7 0.4
CAG B:IW3128 1.8 27.7 0.1
CAO B:IW3128 1.9 23.6 0.4
CAI B:IW3128 2.3 28.0 0.1
CAN B:IW3128 2.8 24.0 0.4
CAK B:IW3128 2.9 22.4 0.4
OAB B:IW3128 3.0 22.4 0.4
CAM B:IW3128 3.1 28.0 0.1
NZ B:LYS15 3.5 27.2 1.0
NAA B:IW3128 3.5 27.8 0.1
CAQ B:IW3128 3.7 28.4 0.1
CE B:LYS15 4.0 22.1 1.0
CAP B:IW3128 4.1 24.4 0.4
CAR B:IW3128 4.2 18.3 0.4
CAH B:IW3128 4.2 28.1 0.1
CAJ B:IW3128 4.5 28.2 0.1
CAL B:IW3128 4.7 21.9 0.4
CAE B:IW3128 4.7 29.3 0.1
CD1 B:LEU17 4.9 19.4 1.0
CD B:LYS15 4.9 21.5 1.0

Bromine binding site 6 out of 8 in 3imt

Go back to Bromine Binding Sites List in 3imt
Bromine binding site 6 out of 8 in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br128

b:12.0
occ:0.10
BRAC B:IW3128 0.0 12.0 0.1
CAG B:IW3128 1.8 21.8 0.4
CAO B:IW3128 1.9 25.4 0.1
CAI B:IW3128 2.3 18.9 0.4
CAK B:IW3128 2.8 27.9 0.1
CAN B:IW3128 2.8 31.2 0.1
OAB B:IW3128 3.1 31.4 0.1
CAM B:IW3128 3.1 17.0 0.4
NAA B:IW3128 3.6 21.0 0.4
CAQ B:IW3128 3.7 19.8 0.4
CAR B:IW3128 4.1 30.7 0.1
CAP B:IW3128 4.1 33.7 0.1
CAH B:IW3128 4.2 21.8 0.4
CD2 B:LEU110 4.2 16.6 1.0
CAJ B:IW3128 4.4 19.6 0.4
CAE B:IW3128 4.6 17.3 0.4
CAL B:IW3128 4.6 33.5 0.1
CAF B:IW3128 4.7 16.9 0.4

Bromine binding site 7 out of 8 in 3imt

Go back to Bromine Binding Sites List in 3imt
Bromine binding site 7 out of 8 in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br128

b:31.7
occ:0.40
BRAD B:IW3128 0.0 31.7 0.4
CAH B:IW3128 1.6 28.1 0.1
CAP B:IW3128 1.9 24.4 0.4
CAJ B:IW3128 2.6 28.2 0.1
CAM B:IW3128 2.6 28.0 0.1
CAN B:IW3128 2.8 24.0 0.4
NAA B:IW3128 2.9 27.8 0.1
CAL B:IW3128 2.9 21.9 0.4
OAB B:IW3128 3.0 22.4 0.4
CAQ B:IW3128 3.9 28.4 0.1
CAG B:IW3128 3.9 27.7 0.1
O B:HOH170 4.0 37.6 1.0
CG2 B:THR106 4.0 18.3 1.0
CAO B:IW3128 4.1 23.6 0.4
CAR B:IW3128 4.2 18.3 0.4
CD B:LYS15 4.2 21.5 1.0
CAI B:IW3128 4.4 28.0 0.1
CG2 B:VAL121 4.5 19.9 1.0
CB B:ALA108 4.6 15.2 1.0
CAK B:IW3128 4.7 22.4 0.4
CB B:LYS15 4.9 15.4 1.0
CAE B:IW3128 4.9 29.3 0.1

Bromine binding site 8 out of 8 in 3imt

Go back to Bromine Binding Sites List in 3imt
Bromine binding site 8 out of 8 in the Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Transthyretin in Complex with (E)-4-(4-Aminostyryl)-2,6- Dibromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br128

b:37.2
occ:0.10
BRAD B:IW3128 0.0 37.2 0.1
CAH B:IW3128 1.5 21.8 0.4
CAP B:IW3128 1.9 33.7 0.1
CAJ B:IW3128 2.2 19.6 0.4
OG B:SER117 2.5 17.3 0.5
CAM B:IW3128 2.7 17.0 0.4
OG B:SER117 2.8 10.0 0.1
CAL B:IW3128 2.8 33.5 0.1
CAN B:IW3128 2.8 31.2 0.1
C B:SER117 2.9 13.1 1.0
O B:SER117 3.0 14.7 1.0
CB B:SER117 3.0 15.3 0.5
OAB B:IW3128 3.1 31.4 0.1
CB B:SER117 3.1 15.6 0.4
N B:THR118 3.2 12.5 1.0
CB B:SER117 3.2 13.0 0.1
NAA B:IW3128 3.3 21.0 0.4
CA B:THR118 3.4 12.5 1.0
CAQ B:IW3128 3.5 19.8 0.4
CA B:SER117 3.6 14.0 0.5
CA B:SER117 3.6 14.1 0.4
CA B:SER117 3.7 12.8 0.1
C B:THR118 3.7 12.3 1.0
CAG B:IW3128 3.8 21.8 0.4
N B:THR119 4.0 13.5 1.0
CB B:LEU110 4.0 13.1 1.0
N B:LEU110 4.1 13.0 1.0
CAR B:IW3128 4.1 30.7 0.1
CAO B:IW3128 4.1 25.4 0.1
CAI B:IW3128 4.2 18.9 0.4
O B:THR118 4.2 14.7 1.0
OG B:SER117 4.3 18.4 0.4
O B:ALA108 4.4 14.4 1.0
CAE B:IW3128 4.5 17.3 0.4
N B:SER117 4.6 13.6 1.0
CAK B:IW3128 4.6 27.9 0.1
CA B:ALA109 4.7 13.2 1.0
CA B:LEU110 4.7 12.4 1.0
C B:ALA109 4.7 13.6 1.0
CB B:THR119 4.7 14.3 1.0
O A:HOH162 4.8 27.5 0.5
CG2 B:THR119 4.8 15.4 1.0
CB B:THR118 4.9 13.0 1.0
C B:ALA108 4.9 13.6 1.0
CA B:THR119 5.0 13.8 1.0

Reference:

S.Choi, N.Reixach, S.Connelly, S.M.Johnson, I.A.Wilson, J.W.Kelly. A Substructure Combination Strategy to Create Potent and Selective Transthyretin Kinetic Stabilizers That Prevent Amyloidogenesis and Cytotoxicity. J.Am.Chem.Soc. V. 132 1359 2010.
ISSN: ISSN 0002-7863
PubMed: 20043671
DOI: 10.1021/JA908562Q
Page generated: Mon Jul 7 05:27:05 2025

Last articles

Br in 4YRF
Br in 4YLL
Br in 4YFF
Br in 4YL3
Br in 4Y9F
Br in 4Y9C
Br in 4YDQ
Br in 4XZI
Br in 4YD4
Br in 4Y51
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy