Atomistry » Fluorine » PDB 7yzr-7zlp » 7ziw
Atomistry »
  Fluorine »
    PDB 7yzr-7zlp »
      7ziw »

Fluorine in PDB 7ziw: X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4)

Enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4)

All present enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4):
3.8.1.5;

Protein crystallography data

The structure of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4), PDB code: 7ziw was solved by M.Tarnawski, J.Kompa, K.Johnsson, J.Hiblot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.68 / 1.99
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.171, 49.795, 78.718, 71.51, 89.95, 67.99
R / Rfree (%) 24.8 / 27.4

Fluorine Binding Sites:

The binding sites of Fluorine atom in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4) (pdb code 7ziw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4), PDB code: 7ziw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7ziw

Go back to Fluorine Binding Sites List in 7ziw
Fluorine binding site 1 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:52.6
occ:1.00
 F A:IYE301 0.0 52.6 1.0
C9 A:IYE301 1.3 46.3 1.0
F2 A:IYE301 2.1 46.9 1.0
F1 A:IYE301 2.1 41.8 1.0
S A:IYE301 2.6 42.9 1.0
O4 A:IYE301 2.9 50.8 1.0
O3 A:IYE301 3.0 41.8 1.0
CD1 A:LEU209 3.5 57.4 1.0
CB A:LEU209 3.7 43.1 1.0
CD2 A:LEU209 3.7 51.3 1.0
CG A:LEU209 3.8 49.4 1.0
NE1 A:TRP107 3.8 37.1 1.0
CA A:PRO206 3.8 32.5 1.0
N1 A:IYE301 3.9 45.0 1.0
O A:PHE205 4.2 35.8 1.0
N A:PRO206 4.3 34.0 1.0
CE2 A:PHE149 4.4 39.5 1.0
CB A:PRO206 4.4 33.2 1.0
C A:PHE205 4.5 34.0 1.0
C8 A:IYE301 4.5 50.4 1.0
CE2 A:TRP107 4.6 33.9 1.0
CD1 A:TRP107 4.7 34.2 1.0
CA A:LEU209 4.7 41.0 1.0
CH2 A:TRP141 4.8 40.1 1.0
CG A:PRO206 4.8 36.8 1.0
C A:PRO206 4.8 32.2 1.0
CZ2 A:TRP107 4.9 34.5 1.0
O A:PRO206 4.9 27.1 1.0

Fluorine binding site 2 out of 6 in 7ziw

Go back to Fluorine Binding Sites List in 7ziw
Fluorine binding site 2 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:41.8
occ:1.00
 F1 A:IYE301 0.0 41.8 1.0
C9 A:IYE301 1.3 46.3 1.0
F2 A:IYE301 2.1 46.9 1.0
F A:IYE301 2.1 52.6 1.0
S A:IYE301 2.6 42.9 1.0
O3 A:IYE301 2.9 41.8 1.0
C8 A:IYE301 3.1 50.4 1.0
N1 A:IYE301 3.1 45.0 1.0
CH2 A:TRP141 3.2 40.1 1.0
CE2 A:PHE149 3.4 39.5 1.0
CZ2 A:TRP141 3.7 45.7 1.0
O4 A:IYE301 3.7 50.8 1.0
CZ A:PHE149 3.9 41.2 1.0
CD2 A:LEU209 4.1 51.3 1.0
C7 A:IYE301 4.1 50.0 1.0
CZ3 A:TRP141 4.2 40.8 1.0
CD2 A:PHE149 4.3 39.6 1.0
CD1 A:LEU209 4.4 57.4 1.0
CD2 A:LEU246 4.6 34.5 1.0
C5 A:IYE301 4.7 48.4 1.0
CG A:LEU209 4.7 49.4 1.0
C6 A:IYE301 4.9 46.6 1.0
CD1 A:LEU246 4.9 37.4 1.0
CG A:LEU246 4.9 36.5 1.0
OD2 A:ASP106 5.0 36.1 1.0
CE1 A:PHE149 5.0 37.6 1.0

Fluorine binding site 3 out of 6 in 7ziw

Go back to Fluorine Binding Sites List in 7ziw
Fluorine binding site 3 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:46.9
occ:1.00
 F2 A:IYE301 0.0 46.9 1.0
C9 A:IYE301 1.3 46.3 1.0
F A:IYE301 2.1 52.6 1.0
F1 A:IYE301 2.1 41.8 1.0
S A:IYE301 2.6 42.9 1.0
O4 A:IYE301 3.0 50.8 1.0
N1 A:IYE301 3.0 45.0 1.0
CD1 A:LEU246 3.5 37.4 1.0
C8 A:IYE301 3.5 50.4 1.0
CD1 A:LEU209 3.6 57.4 1.0
OD2 A:ASP106 3.7 36.1 1.0
O3 A:IYE301 3.7 41.8 1.0
CD2 A:LEU246 3.8 34.5 1.0
CG A:LEU246 4.0 36.5 1.0
NE1 A:TRP107 4.3 37.1 1.0
CH2 A:TRP141 4.4 40.1 1.0
CG A:ASP106 4.5 35.8 1.0
CD2 A:LEU209 4.5 51.3 1.0
CG A:LEU209 4.6 49.4 1.0
CD1 A:TRP107 4.7 34.2 1.0
OD1 A:ASP106 4.8 35.5 1.0
CG1 A:ILE132 4.8 36.8 1.0
C7 A:IYE301 5.0 50.0 1.0
CB A:LEU209 5.0 43.1 1.0

Fluorine binding site 4 out of 6 in 7ziw

Go back to Fluorine Binding Sites List in 7ziw
Fluorine binding site 4 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:53.8
occ:1.00
 F B:IYE301 0.0 53.8 1.0
C9 B:IYE301 1.3 46.3 1.0
F2 B:IYE301 2.1 44.0 1.0
F1 B:IYE301 2.1 42.6 1.0
S B:IYE301 2.6 44.0 1.0
O3 B:IYE301 2.9 38.6 1.0
O4 B:IYE301 3.0 46.9 1.0
CD2 B:LEU209 3.6 48.8 1.0
CB B:LEU209 3.8 39.3 1.0
CD1 B:LEU209 3.9 49.9 1.0
N1 B:IYE301 3.9 43.1 1.0
CG B:LEU209 3.9 45.2 1.0
CE2 B:PHE149 4.0 39.7 1.0
CA B:PRO206 4.0 33.6 1.0
NE1 B:TRP107 4.1 46.2 1.0
CH2 B:TRP141 4.4 35.5 1.0
CB B:PRO206 4.5 33.0 1.0
C8 B:IYE301 4.5 45.4 1.0
O B:PHE205 4.5 37.8 1.0
N B:PRO206 4.6 36.2 1.0
CD2 B:PHE149 4.7 40.7 1.0
C B:PHE205 4.9 37.2 1.0
CZ2 B:TRP141 4.9 36.2 1.0
CD1 B:TRP107 4.9 41.1 1.0
CA B:LEU209 4.9 37.6 1.0
CZ B:PHE149 4.9 37.9 1.0
CE2 B:TRP107 5.0 46.2 1.0
O B:PRO206 5.0 33.8 1.0
CG B:PRO206 5.0 36.1 1.0

Fluorine binding site 5 out of 6 in 7ziw

Go back to Fluorine Binding Sites List in 7ziw
Fluorine binding site 5 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:42.6
occ:1.00
 F1 B:IYE301 0.0 42.6 1.0
C9 B:IYE301 1.3 46.3 1.0
F B:IYE301 2.1 53.8 1.0
F2 B:IYE301 2.1 44.0 1.0
S B:IYE301 2.6 44.0 1.0
O3 B:IYE301 3.0 38.6 1.0
C8 B:IYE301 3.0 45.4 1.0
N1 B:IYE301 3.0 43.1 1.0
CH2 B:TRP141 3.1 35.5 1.0
CE2 B:PHE149 3.4 39.7 1.0
CZ2 B:TRP141 3.5 36.2 1.0
O4 B:IYE301 3.7 46.9 1.0
CZ B:PHE149 3.9 37.9 1.0
CZ3 B:TRP141 4.2 41.9 1.0
CD2 B:LEU246 4.2 34.9 1.0
CD2 B:LEU209 4.3 48.8 1.0
C7 B:IYE301 4.4 43.5 1.0
CD2 B:PHE149 4.4 40.7 1.0
C5 B:IYE301 4.6 41.0 1.0
CG B:LEU246 4.6 35.7 1.0
CD1 B:LEU246 4.8 32.0 1.0
OD1 B:ASP106 4.8 30.5 1.0
CD1 B:LEU209 4.8 49.9 1.0
CE2 B:TRP141 4.9 38.9 1.0

Fluorine binding site 6 out of 6 in 7ziw

Go back to Fluorine Binding Sites List in 7ziw
Fluorine binding site 6 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Tmr-T4) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:44.0
occ:1.00
 F2 B:IYE301 0.0 44.0 1.0
C9 B:IYE301 1.3 46.3 1.0
F B:IYE301 2.1 53.8 1.0
F1 B:IYE301 2.1 42.6 1.0
S B:IYE301 2.6 44.0 1.0
O4 B:IYE301 2.9 46.9 1.0
N1 B:IYE301 3.2 43.1 1.0
OD1 B:ASP106 3.6 30.5 1.0
CD1 B:LEU246 3.6 32.0 1.0
CD2 B:LEU246 3.6 34.9 1.0
CD1 B:ILE132 3.7 36.3 1.0
O3 B:IYE301 3.7 38.6 1.0
C8 B:IYE301 3.9 45.4 1.0
CG B:LEU246 4.0 35.7 1.0
CD1 B:LEU209 4.1 49.9 1.0
NE1 B:TRP107 4.2 46.2 1.0
CG B:ASP106 4.4 40.4 1.0
CH2 B:TRP141 4.4 35.5 1.0
CD1 B:TRP107 4.6 41.1 1.0
OD2 B:ASP106 4.6 38.2 1.0
CD2 B:LEU209 4.7 48.8 1.0
CG B:LEU209 4.9 45.2 1.0

Reference:

M.Tarnawski, J.Kompa, K.Johnsson, J.Hiblot. X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Bound to A Butyltrifluoromethanesulfonamide Tetramethylrhodamine Ligand (Fsam(4)-Tmr) To Be Published.
Page generated: Wed Jul 16 02:27:15 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