Atomistry » Bromine » PDB 6hbt-6lg9 » 6htk
Atomistry »
  Bromine »
    PDB 6hbt-6lg9 »
      6htk »

Bromine in PDB 6htk: X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate

Protein crystallography data

The structure of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate, PDB code: 6htk was solved by P.Amara, J.M.Mouesca, M.Bella, L.Martin, C.Saragaglia, S.Gambarelli, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.11 / 2.00
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 94.650, 47.010, 114.080, 90.00, 108.91, 90.00
R / Rfree (%) 16.9 / 19.7

Other elements in 6htk:

The structure of X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate also contains other interesting chemical elements:

Potassium (K) 1 atom
Iron (Fe) 8 atoms
Sodium (Na) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate (pdb code 6htk). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate, PDB code: 6htk:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in 6htk

Go back to Bromine Binding Sites List in 6htk
Bromine binding site 1 out of 6 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate


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 the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br504

b:47.6
occ:0.49
 NZ A:LYS290 3.2 52.8 1.0
C A:ARG286 3.5 39.1 1.0
N A:PRO287 3.7 38.0 1.0
O A:ARG286 3.7 39.3 1.0
CA A:ARG286 4.0 36.8 1.0
O A:HOH621 4.0 47.6 1.0
CG A:MET285 4.0 46.6 1.0
N A:ARG286 4.0 36.4 1.0
CA A:PRO287 4.1 41.1 1.0
O A:MET285 4.1 35.6 1.0
CD A:PRO287 4.1 41.2 1.0
C A:MET285 4.1 37.9 1.0
CB A:MET285 4.3 44.2 1.0
CG A:PRO287 4.4 43.5 1.0
CE A:LYS290 4.4 52.7 1.0
OG1 A:THR294 4.6 46.8 1.0
CB A:PRO287 4.8 44.5 1.0
CA A:MET285 4.9 39.4 1.0
O A:HOH865 5.0 54.7 1.0

Bromine binding site 2 out of 6 in 6htk

Go back to Bromine Binding Sites List in 6htk
Bromine binding site 2 out of 6 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate


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 the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br505

b:35.8
occ:0.58
 OE2 A:GLU170 3.0 37.9 0.5
CA A:HIS388 3.4 27.0 1.0
N A:HIS388 3.6 23.7 1.0
CD2 A:HIS388 3.9 27.9 1.0
CG A:ARG135 3.9 24.8 1.0
OD1 A:ASP387 4.0 37.2 1.0
CD A:GLU170 4.2 36.3 0.5
C A:HIS388 4.2 26.2 1.0
CB A:ARG135 4.3 23.1 1.0
CG2 A:VAL390 4.3 29.4 1.0
N A:PHE389 4.4 23.2 1.0
CB A:HIS388 4.5 22.6 1.0
CG A:HIS388 4.5 24.9 1.0
C A:ASP387 4.9 26.1 1.0
OE1 A:GLU170 4.9 39.7 0.5
CG A:GLU170 5.0 33.4 0.5
O A:HOH719 5.0 55.5 1.0

Bromine binding site 3 out of 6 in 6htk

Go back to Bromine Binding Sites List in 6htk
Bromine binding site 3 out of 6 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate


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 the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br506

b:36.9
occ:0.45
 O A:HOH632 2.9 27.1 1.0
O A:HOH915 3.5 49.9 1.0
N A:ARG82 3.5 28.6 1.0
CG A:ARG82 3.7 33.3 1.0
O A:HOH862 3.9 36.9 1.0
CD A:ARG80 3.9 39.4 1.0
CD A:ARG82 4.0 37.2 1.0
CB A:ARG82 4.1 30.0 1.0
CA A:PRO81 4.1 31.8 1.0
CG A:PRO385 4.2 30.4 1.0
C A:PRO81 4.3 28.6 1.0
NE A:ARG80 4.3 41.8 1.0
CD A:PRO385 4.4 29.4 1.0
CB A:PRO385 4.4 24.9 1.0
CA A:ARG82 4.4 28.5 1.0
CB A:PRO81 4.4 32.9 1.0
O A:PRO385 4.8 26.4 1.0

Bromine binding site 4 out of 6 in 6htk

Go back to Bromine Binding Sites List in 6htk
Bromine binding site 4 out of 6 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate


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 the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br509

b:32.0
occ:0.52
 O B:HOH720 3.1 26.0 1.0
O B:HOH1018 3.1 41.5 1.0
N B:ARG82 3.5 21.2 1.0
CG B:ARG82 3.7 25.6 1.0
O B:HOH822 3.8 41.8 1.0
CD B:ARG82 3.9 30.3 1.0
CB B:ARG82 4.0 20.6 1.0
CD B:ARG80 4.0 35.4 1.0
CA B:PRO81 4.2 27.6 1.0
CG B:PRO385 4.2 24.2 1.0
O B:HOH948 4.3 37.2 1.0
C B:PRO81 4.3 22.6 1.0
CD B:PRO385 4.3 25.2 1.0
CB B:PRO385 4.3 21.8 1.0
CA B:ARG82 4.4 21.8 1.0
NE B:ARG80 4.4 39.6 1.0
CB B:PRO81 4.6 27.2 1.0
O B:PRO385 4.9 22.6 1.0
O B:HOH938 4.9 55.2 1.0
CZ B:ARG80 4.9 39.1 1.0

Bromine binding site 5 out of 6 in 6htk

Go back to Bromine Binding Sites List in 6htk
Bromine binding site 5 out of 6 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate


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 the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br510

b:36.2
occ:0.68
 O B:HOH926 3.0 41.4 1.0
CA B:HIS388 3.4 20.4 1.0
O B:HOH754 3.5 37.2 1.0
N B:HIS388 3.7 18.9 1.0
CG B:ARG135 3.8 22.4 1.0
CD2 B:HIS388 3.8 19.6 1.0
C B:HIS388 4.2 18.5 1.0
CG2 B:VAL390 4.2 22.5 1.0
OD1 B:ASP387 4.2 26.4 1.0
CB B:ARG135 4.3 20.2 1.0
N B:PHE389 4.4 21.6 1.0
O B:HOH765 4.5 38.5 1.0
CB B:HIS388 4.5 17.2 1.0
CG B:HIS388 4.5 18.2 1.0
O B:HOH676 4.5 39.5 1.0
CG B:GLU170 4.6 32.8 1.0
CD B:ARG135 5.0 18.6 1.0
C B:ASP387 5.0 21.2 1.0
OE1 B:GLU170 5.0 58.4 1.0
NE2 B:HIS388 5.0 18.8 1.0

Bromine binding site 6 out of 6 in 6htk

Go back to Bromine Binding Sites List in 6htk
Bromine binding site 6 out of 6 in the X-Ray Structure of the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate


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 the Tryptophan Lyase Nosl in Complex with (R)-(+)- Indoline-2-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br512

b:45.9
occ:0.51
 O B:HOH961 3.0 50.4 1.0
NZ B:LYS290 3.1 52.1 1.0
O B:HOH922 3.3 34.6 1.0
C B:ARG286 3.4 26.5 1.0
O B:HOH920 3.4 49.6 1.0
N B:PRO287 3.5 24.8 1.0
O B:ARG286 3.6 26.9 1.0
CA B:ARG286 3.8 24.4 1.0
CD B:PRO287 3.9 24.4 1.0
N B:ARG286 3.9 21.7 1.0
CA B:PRO287 4.0 26.9 1.0
O B:MET285 4.0 24.5 1.0
C B:MET285 4.0 26.5 1.0
CE B:LYS290 4.2 47.6 1.0
CG B:PRO287 4.3 25.8 1.0
CB B:MET285 4.3 29.5 1.0
O B:HOH706 4.7 28.1 1.0
OG1 B:THR294 4.7 36.2 1.0
CE B:MET285 4.7 29.4 1.0
CB B:PRO287 4.7 26.6 1.0
O B:HOH928 4.8 35.2 1.0
CA B:MET285 4.8 25.1 1.0
O B:HOH850 4.8 55.0 1.0

Reference:

P.Amara, J.M.Mouesca, M.Bella, L.Martin, C.Saragaglia, S.Gambarelli, Y.Nicolet. Radical S-Adenosyl-L-Methionine Tryptophan Lyase (Nosl): How the Protein Controls the Carboxyl Radical •CO2-Migration. J.Am.Chem.Soc. V. 140 16661 2018.
ISSN: ESSN 1520-5126
PubMed: 30418774
DOI: 10.1021/JACS.8B09142
Page generated: Thu Jul 11 02:08:25 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy