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Chlorine in PDB 6zvy: X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate

Enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate

All present enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate:
3.8.1.5;

Protein crystallography data

The structure of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate, PDB code: 6zvy was solved by M.Tarnawski, M.Frei, J.Hiblot, K.Johnsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.40 / 1.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.15, 47.34, 78.47, 97.67, 90.19, 113.54
R / Rfree (%) 16.2 / 18

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate (pdb code 6zvy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate, PDB code: 6zvy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6zvy

Go back to Chlorine Binding Sites List in 6zvy
Chlorine binding site 1 out of 2 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:11.0
occ:1.00
 NE1 A:TRP107 3.2 10.0 1.0
ND2 A:ASN41 3.3 10.2 1.0
N A:PRO206 3.5 10.7 1.0
CA A:PRO206 3.7 11.4 1.0
C20 A:OEH301 3.7 12.0 1.0
CD1 A:TRP107 3.7 10.0 1.0
CD A:PRO206 3.8 12.0 1.0
C A:PHE205 3.8 9.7 1.0
CZ A:PHE168 3.8 11.1 1.0
CB A:PHE205 3.9 9.6 1.0
CD1 A:LEU209 3.9 12.0 1.0
CB A:ASN41 3.9 11.0 1.0
C19 A:OEH301 3.9 10.9 1.0
CB A:PRO206 4.0 11.0 1.0
O A:PHE205 4.0 10.9 1.0
CG A:LEU209 4.1 11.1 1.0
CG A:ASN41 4.1 9.3 1.0
CD2 A:LEU209 4.2 12.6 1.0
CE2 A:PHE168 4.4 11.2 1.0
C18 A:OEH301 4.4 11.8 1.0
CG A:PRO206 4.5 11.1 1.0
CA A:PHE205 4.5 10.7 1.0
CE2 A:TRP107 4.5 10.4 1.0
CE2 A:PHE149 4.6 11.9 1.0
CE1 A:PHE168 4.7 11.1 1.0
OD1 A:ASP106 4.7 10.2 1.0
CG A:PHE205 4.9 11.1 1.0
OD2 A:ASP106 5.0 10.1 1.0

Chlorine binding site 2 out of 2 in 6zvy

Go back to Chlorine Binding Sites List in 6zvy
Chlorine binding site 2 out of 2 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:12.1
occ:1.00
 NE1 B:TRP107 3.2 10.7 1.0
ND2 B:ASN41 3.3 11.5 1.0
N B:PRO206 3.5 10.9 1.0
CA B:PRO206 3.6 10.9 1.0
C20 B:OEH303 3.7 13.3 1.0
CD1 B:TRP107 3.7 11.1 1.0
CD B:PRO206 3.7 13.0 1.0
C B:PHE205 3.8 10.7 1.0
CZ B:PHE168 3.8 11.6 1.0
CD1 B:LEU209 3.9 13.8 1.0
CB B:PHE205 3.9 10.2 1.0
CB B:ASN41 3.9 11.9 1.0
C19 B:OEH303 3.9 11.2 1.0
CB B:PRO206 4.0 11.9 1.0
O B:PHE205 4.1 12.3 1.0
CG B:LEU209 4.1 10.8 1.0
CG B:ASN41 4.1 12.0 1.0
CD2 B:LEU209 4.2 12.0 1.0
C18 B:OEH303 4.4 11.5 1.0
CE2 B:PHE168 4.4 12.7 1.0
CG B:PRO206 4.4 12.6 1.0
CA B:PHE205 4.5 10.1 1.0
CE2 B:TRP107 4.5 10.7 1.0
CE2 B:PHE149 4.7 12.0 1.0
CE1 B:PHE168 4.7 12.2 1.0
OD1 B:ASP106 4.7 11.0 1.0
CG B:PHE205 4.9 12.9 1.0
OD2 B:ASP106 4.9 11.3 1.0

Reference:

M.Tarnawski, M.Frei, J.Hiblot, K.Johnsson. X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165H-P174R Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate To Be Published.
Page generated: Mon Jul 29 18:13:48 2024

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