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Chlorine in PDB 6zvv: X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate

Enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate

All present enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W 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-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate, PDB code: 6zvv 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) 42.29 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 70.26, 53.03, 163.21, 90, 93.75, 90
R / Rfree (%) 19.9 / 22.5

Other elements in 6zvv:

The structure of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate (pdb code 6zvv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate, PDB code: 6zvv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6zvv

Go back to Chlorine Binding Sites List in 6zvv
Chlorine binding site 1 out of 4 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W 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-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:11.8
occ:1.00
 NE1 A:TRP107 3.2 9.9 1.0
ND2 A:ASN41 3.3 9.8 1.0
N A:PRO206 3.5 8.8 1.0
CA A:PRO206 3.7 8.8 1.0
CD1 A:TRP107 3.8 9.0 1.0
C A:PHE205 3.8 9.6 1.0
CD A:PRO206 3.8 10.0 1.0
C20 A:OEH301 3.8 21.9 1.0
CB A:PHE205 3.9 9.9 1.0
CZ A:PHE168 3.9 10.3 1.0
CD1 A:LEU209 3.9 12.1 1.0
CB A:ASN41 4.0 10.0 1.0
C19 A:OEH301 4.1 11.3 1.0
CB A:PRO206 4.1 9.0 1.0
CG A:LEU209 4.1 10.7 1.0
O A:PHE205 4.1 9.5 1.0
CG A:ASN41 4.2 10.1 1.0
CD2 A:LEU209 4.2 11.5 1.0
CE2 A:PHE168 4.4 11.9 1.0
CA A:PHE205 4.5 9.3 1.0
C18 A:OEH301 4.5 10.3 1.0
CE2 A:TRP107 4.5 8.7 1.0
CG A:PRO206 4.5 10.6 1.0
CE2 A:PHE149 4.5 11.0 1.0
OD1 A:ASP106 4.8 10.0 1.0
CG A:PHE205 4.8 9.1 1.0
CE1 A:PHE168 4.8 11.9 1.0

Chlorine binding site 2 out of 4 in 6zvv

Go back to Chlorine Binding Sites List in 6zvv
Chlorine binding site 2 out of 4 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W 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-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:12.4
occ:1.00
 NE1 B:TRP107 3.2 11.3 1.0
ND2 B:ASN41 3.3 10.8 1.0
N B:PRO206 3.5 10.4 1.0
CA B:PRO206 3.7 12.0 1.0
CD B:PRO206 3.7 11.0 1.0
CD1 B:TRP107 3.8 9.8 1.0
C B:PHE205 3.8 11.6 1.0
C20 B:OEH301 3.8 22.1 1.0
CB B:PHE205 3.9 11.4 1.0
CZ B:PHE168 4.0 12.3 1.0
C19 B:OEH301 4.0 12.8 1.0
CB B:ASN41 4.0 10.6 1.0
CD1 B:LEU209 4.0 12.7 1.0
CB B:PRO206 4.0 10.7 1.0
O B:PHE205 4.1 10.8 1.0
CG B:LEU209 4.1 13.3 1.0
CG B:ASN41 4.1 11.1 1.0
CD2 B:LEU209 4.2 12.5 1.0
C18 B:OEH301 4.4 12.1 1.0
CE2 B:PHE168 4.4 12.5 1.0
CG B:PRO206 4.5 12.0 1.0
CA B:PHE205 4.5 12.0 1.0
CE2 B:TRP107 4.5 9.9 1.0
CE2 B:PHE149 4.6 12.0 1.0
OD1 B:ASP106 4.8 10.4 1.0
CG B:PHE205 4.8 11.2 1.0
CE1 B:PHE168 4.9 12.5 1.0

Chlorine binding site 3 out of 4 in 6zvv

Go back to Chlorine Binding Sites List in 6zvv
Chlorine binding site 3 out of 4 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W 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 3 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:12.9
occ:1.00
 NE1 C:TRP107 3.3 10.3 1.0
ND2 C:ASN41 3.3 10.2 1.0
N C:PRO206 3.5 9.0 1.0
C20 C:OEH301 3.7 13.2 1.0
CA C:PRO206 3.7 10.7 1.0
CD1 C:TRP107 3.7 9.6 1.0
C C:PHE205 3.8 10.9 1.0
CD C:PRO206 3.8 10.8 1.0
CB C:PHE205 3.8 10.6 1.0
CZ C:PHE168 3.9 12.2 1.0
CB C:ASN41 4.0 12.0 1.0
CD1 C:LEU209 4.0 14.0 1.0
C19 C:OEH301 4.0 12.6 1.0
CB C:PRO206 4.1 11.8 1.0
O C:PHE205 4.1 10.7 1.0
CG C:ASN41 4.1 11.7 1.0
CG C:LEU209 4.2 9.9 1.0
CE2 C:PHE168 4.3 12.1 1.0
CD2 C:LEU209 4.4 14.5 1.0
CA C:PHE205 4.4 9.9 1.0
C18 C:OEH301 4.5 13.1 1.0
CG C:PRO206 4.5 9.7 1.0
CE2 C:TRP107 4.5 10.6 1.0
CE2 C:PHE149 4.5 13.6 1.0
OD1 C:ASP106 4.7 9.5 1.0
CE1 C:PHE168 4.8 13.0 1.0
CG C:PHE205 4.8 9.7 1.0
OD2 C:ASP106 4.9 11.0 1.0

Chlorine binding site 4 out of 4 in 6zvv

Go back to Chlorine Binding Sites List in 6zvv
Chlorine binding site 4 out of 4 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W 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 4 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:14.0
occ:1.00
 NE1 D:TRP107 3.3 10.4 1.0
ND2 D:ASN41 3.4 16.4 1.0
N D:PRO206 3.5 10.7 1.0
CA D:PRO206 3.6 11.2 1.0
C20 D:OEH302 3.7 22.1 1.0
CD D:PRO206 3.7 13.4 1.0
C D:PHE205 3.8 11.2 1.0
CD1 D:TRP107 3.8 9.1 1.0
CB D:PHE205 3.9 12.1 1.0
CZ D:PHE168 3.9 18.0 1.0
CB D:ASN41 3.9 12.7 1.0
CB D:PRO206 4.0 14.0 1.0
CD1 D:LEU209 4.0 14.8 1.0
C19 D:OEH302 4.0 14.0 1.0
O D:PHE205 4.0 11.6 1.0
CG D:LEU209 4.1 11.7 1.0
CG D:ASN41 4.2 13.4 1.0
CD2 D:LEU209 4.2 14.3 1.0
C18 D:OEH302 4.3 16.1 1.0
CG D:PRO206 4.4 15.1 1.0
CA D:PHE205 4.5 11.2 1.0
CE2 D:TRP107 4.5 9.1 1.0
CE2 D:PHE168 4.6 19.1 1.0
OD1 D:ASP106 4.7 11.3 1.0
CE1 D:PHE168 4.7 17.3 1.0
CE2 D:PHE149 4.7 16.1 1.0
CG D:PHE205 4.9 11.7 1.0
OD2 D:ASP106 4.9 11.6 1.0

Reference:

M.Tarnawski, M.Frei, J.Hiblot, K.Johnsson. X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-P174W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate To Be Published.
Page generated: Mon Jul 29 18:13:27 2024

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