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

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

Protein crystallography data

The structure of Transthyretin in Complex with (E)-4-(3-Aminostyryl)-2,6- Dibromoaniline, PDB code: 3imu was solved by S.Connelly, I.A.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 (°) 42.702, 85.278, 64.203, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 19.1

Bromine Binding Sites:

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

Bromine binding site 1 out of 4 in 3imu

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


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-(3-Aminostyryl)-2,6- Dibromoaniline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br128

b:20.6
occ:0.50
BRAC A:IW4128 0.0 20.6 0.5
CAN A:IW4128 1.9 18.1 0.5
CAK A:IW4128 2.8 19.6 0.5
CAP A:IW4128 2.9 21.8 0.5
NAB A:IW4128 3.1 21.2 0.5
O A:SER117 3.5 16.6 1.0
OG A:SER117 3.7 13.5 0.2
O A:ALA108 3.7 16.6 1.0
OG A:SER117 3.7 18.4 0.5
C A:SER117 3.7 15.6 1.0
CA A:THR118 3.8 15.9 1.0
N A:THR119 3.8 15.9 1.0
N A:THR118 3.9 15.4 1.0
C A:THR118 3.9 16.1 1.0
N A:LEU110 3.9 15.4 1.0
CB A:SER117 4.0 21.1 0.2
C A:ALA108 4.0 15.2 1.0
CG2 A:THR119 4.0 18.6 1.0
CA A:ALA109 4.0 16.1 1.0
CB A:SER117 4.1 15.6 0.2
N A:ALA109 4.1 15.8 1.0
CB A:LEU110 4.1 16.4 1.0
C A:ALA109 4.1 16.2 1.0
CAR A:IW4128 4.1 23.0 0.5
CAO A:IW4128 4.2 23.3 0.5
CB A:THR119 4.3 17.4 1.0
CB A:ALA108 4.4 17.7 1.0
CB A:SER117 4.4 16.4 0.5
CA A:SER117 4.6 16.4 0.2
CA A:SER117 4.6 16.9 0.2
CA A:THR119 4.6 16.3 1.0
CAL A:IW4128 4.7 23.2 0.5
CA A:SER117 4.7 17.4 0.5
O A:THR118 4.7 16.8 1.0
CA A:LEU110 4.7 15.7 1.0
CA A:ALA108 4.8 16.0 1.0
O A:ALA109 4.9 17.4 1.0

Bromine binding site 2 out of 4 in 3imu

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


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-(3-Aminostyryl)-2,6- Dibromoaniline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br128

b:25.4
occ:0.50
BRAD A:IW4128 0.0 25.4 0.5
CAO A:IW4128 1.9 23.3 0.5
CAP A:IW4128 2.8 21.8 0.5
CAL A:IW4128 2.9 23.2 0.5
NAB A:IW4128 3.0 21.2 0.5
CAN A:IW4128 4.1 18.1 0.5
CAR A:IW4128 4.2 23.0 0.5
CD2 A:LEU110 4.2 18.8 1.0
CAK A:IW4128 4.6 19.6 0.5

Bromine binding site 3 out of 4 in 3imu

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


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-(3-Aminostyryl)-2,6- Dibromoaniline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br128

b:25.0
occ:0.50
BRAC B:IW4128 0.0 25.0 0.5
CAN B:IW4128 1.9 23.8 0.5
CAP B:IW4128 2.8 22.7 0.5
CAK B:IW4128 2.8 25.7 0.5
NAB B:IW4128 3.0 21.9 0.5
OG B:SER117 3.2 19.0 0.5
O B:SER117 3.3 17.2 1.0
OG B:SER117 3.3 11.4 0.1
C B:SER117 3.5 15.8 1.0
CB B:SER117 3.6 17.1 0.5
CA B:THR118 3.6 16.4 1.0
N B:THR118 3.7 16.0 1.0
C B:THR118 3.8 16.3 1.0
N B:THR119 3.8 16.7 1.0
CB B:SER117 3.9 15.2 0.1
O B:ALA108 3.9 17.7 1.0
CB B:SER117 4.0 17.9 0.4
N B:LEU110 4.0 16.6 1.0
CB B:LEU110 4.0 16.2 1.0
CAO B:IW4128 4.1 22.8 0.5
CAR B:IW4128 4.2 26.8 0.5
CA B:SER117 4.2 16.8 0.5
CG2 B:THR119 4.2 19.6 1.0
CA B:ALA109 4.3 17.1 1.0
CA B:SER117 4.3 17.6 0.4
CA B:SER117 4.3 15.8 0.1
C B:ALA108 4.3 17.3 1.0
C B:ALA109 4.4 15.9 1.0
CB B:THR119 4.4 18.6 1.0
O B:THR118 4.5 18.0 1.0
N B:ALA109 4.5 17.2 1.0
CAL B:IW4128 4.6 24.6 0.5
CA B:LEU110 4.7 16.4 1.0
CA B:THR119 4.7 17.5 1.0
CB B:ALA108 4.8 20.4 1.0

Bromine binding site 4 out of 4 in 3imu

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


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-(3-Aminostyryl)-2,6- Dibromoaniline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br128

b:23.9
occ:0.50
BRAD B:IW4128 0.0 23.9 0.5
CAO B:IW4128 1.9 22.8 0.5
CAL B:IW4128 2.8 24.6 0.5
CAP B:IW4128 2.9 22.7 0.5
NAB B:IW4128 3.1 21.9 0.5
CAR B:IW4128 4.1 26.8 0.5
CAN B:IW4128 4.2 23.8 0.5
CD2 B:LEU110 4.3 18.7 1.0
CAK B:IW4128 4.6 25.7 0.5

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 05:27:07 2025

Last articles

Br in 5Y13
Br in 5XWG
Br in 5XIQ
Br in 5XRA
Br in 5XR9
Br in 5WEW
Br in 5XIP
Br in 5XIO
Br in 5XDV
Br in 5X3R
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy