Chlorine in PDB 7pcx: X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate

Enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate

All present enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W 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-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate, PDB code: 7pcx 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) 39.86 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 74.96, 149.15, 79.92, 90, 117.97, 90
R / Rfree (%) 17.6 / 19.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate (pdb code 7pcx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate, PDB code: 7pcx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7pcx

Go back to Chlorine Binding Sites List in 7pcx
Chlorine binding site 1 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W 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-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:8.8
occ:1.00
NE1 A:TRP107 3.2 8.4 1.0
ND2 A:ASN41 3.3 8.3 1.0
N A:PRO206 3.5 7.2 1.0
CA A:PRO206 3.7 7.7 1.0
C20 A:OEH301 3.7 9.3 1.0
CD1 A:TRP107 3.8 6.9 1.0
C A:PHE205 3.8 7.9 1.0
CD1 A:LEU209 3.8 10.2 1.0
CZ A:PHE168 3.8 11.4 1.0
CD A:PRO206 3.8 8.7 1.0
CB A:PHE205 3.9 7.9 1.0
CB A:ASN41 3.9 7.8 1.0
CB A:PRO206 4.0 10.2 1.0
CG A:LEU209 4.0 9.0 1.0
C19 A:OEH301 4.1 9.4 1.0
O A:PHE205 4.1 9.1 1.0
CG A:ASN41 4.1 8.0 1.0
CD2 A:LEU209 4.2 11.3 1.0
CE2 A:PHE168 4.4 11.0 1.0
CA A:PHE205 4.5 7.8 1.0
CE2 A:TRP107 4.5 7.7 1.0
C18 A:OEH301 4.5 10.0 1.0
CG A:PRO206 4.5 8.7 1.0
CE2 A:PHE149 4.6 9.7 1.0
CE1 A:PHE168 4.7 11.7 1.0
OD1 A:ASP106 4.8 8.4 1.0
CG A:PHE205 4.8 6.5 1.0
OD2 A:ASP106 5.0 7.8 1.0

Chlorine binding site 2 out of 6 in 7pcx

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Chlorine binding site 2 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W 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-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:7.3
occ:1.00
NE1 B:TRP107 3.2 6.4 1.0
ND2 B:ASN41 3.3 7.4 1.0
N B:PRO206 3.5 6.1 1.0
C20 B:OEH301 3.7 8.2 1.0
CA B:PRO206 3.7 7.3 1.0
CD B:PRO206 3.7 6.8 1.0
CD1 B:TRP107 3.7 6.7 1.0
C B:PHE205 3.7 6.4 1.0
CZ B:PHE168 3.8 9.2 1.0
CB B:PHE205 3.8 6.9 1.0
CD1 B:LEU209 3.9 9.4 1.0
CB B:ASN41 3.9 7.2 1.0
C19 B:OEH301 4.0 8.7 1.0
CB B:PRO206 4.0 6.5 1.0
O B:PHE205 4.0 6.7 1.0
CG B:LEU209 4.1 8.0 1.0
CG B:ASN41 4.1 7.6 1.0
CD2 B:LEU209 4.2 8.4 1.0
CE2 B:PHE168 4.3 9.4 1.0
C18 B:OEH301 4.4 9.0 1.0
CA B:PHE205 4.4 6.4 1.0
CG B:PRO206 4.5 6.3 1.0
CE2 B:TRP107 4.5 6.6 1.0
CE2 B:PHE149 4.6 8.4 1.0
CE1 B:PHE168 4.7 9.2 1.0
OD1 B:ASP106 4.8 7.7 1.0
CG B:PHE205 4.8 5.6 1.0
OD2 B:ASP106 5.0 7.6 1.0

Chlorine binding site 3 out of 6 in 7pcx

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Chlorine binding site 3 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W 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-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:8.3
occ:1.00
NE1 C:TRP107 3.2 7.6 1.0
ND2 C:ASN41 3.3 8.1 1.0
N C:PRO206 3.5 6.7 1.0
C20 C:OEH301 3.7 8.6 0.6
C20 C:OEH301 3.7 8.6 0.5
CA C:PRO206 3.7 7.9 1.0
CD1 C:TRP107 3.7 7.7 1.0
CD C:PRO206 3.8 9.1 1.0
CD1 C:LEU209 3.8 10.6 1.0
C C:PHE205 3.8 7.5 1.0
CZ C:PHE168 3.9 8.6 1.0
CB C:PHE205 3.9 8.6 1.0
CB C:ASN41 4.0 8.3 1.0
C19 C:OEH301 4.0 10.2 0.6
CG C:LEU209 4.0 8.3 1.0
C19 C:OEH301 4.0 10.2 0.5
CB C:PRO206 4.0 7.8 1.0
O C:PHE205 4.1 8.2 1.0
CG C:ASN41 4.1 8.3 1.0
CD2 C:LEU209 4.2 9.8 1.0
C18 C:OEH301 4.4 8.6 0.6
C18 C:OEH301 4.4 8.6 0.5
CE2 C:PHE168 4.4 11.4 1.0
CE2 C:TRP107 4.5 7.4 1.0
CA C:PHE205 4.5 8.4 1.0
CG C:PRO206 4.5 7.8 1.0
CE2 C:PHE149 4.6 10.4 1.0
OD1 C:ASP106 4.7 7.7 1.0
CE1 C:PHE168 4.8 10.0 1.0
CG C:PHE205 4.9 8.3 1.0
OD2 C:ASP106 4.9 7.4 1.0

Chlorine binding site 4 out of 6 in 7pcx

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Chlorine binding site 4 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W 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-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:8.2
occ:1.00
NE1 D:TRP107 3.2 7.8 1.0
ND2 D:ASN41 3.3 8.4 1.0
N D:PRO206 3.5 7.9 1.0
CD D:PRO206 3.7 8.0 1.0
C20 D:OEH301 3.7 7.6 1.0
CA D:PRO206 3.7 9.9 1.0
CD1 D:TRP107 3.7 9.6 1.0
C D:PHE205 3.8 8.0 1.0
CZ D:PHE168 3.8 9.0 1.0
CD1 D:LEU209 3.8 10.9 1.0
CB D:PHE205 3.9 8.6 1.0
CB D:ASN41 3.9 8.3 1.0
C19 D:OEH301 3.9 10.1 1.0
CB D:PRO206 4.0 9.5 1.0
CG D:LEU209 4.0 8.8 1.0
O D:PHE205 4.1 8.3 1.0
CG D:ASN41 4.1 9.0 1.0
CD2 D:LEU209 4.2 11.3 1.0
CE2 D:PHE168 4.3 10.5 1.0
C18 D:OEH301 4.4 9.6 1.0
CG D:PRO206 4.5 7.9 1.0
CA D:PHE205 4.5 7.6 1.0
CE2 D:TRP107 4.5 8.1 1.0
CE2 D:PHE149 4.6 9.1 1.0
CE1 D:PHE168 4.7 11.2 1.0
OD1 D:ASP106 4.7 7.9 1.0
CG D:PHE205 4.9 7.2 1.0
OD2 D:ASP106 4.9 7.8 1.0

Chlorine binding site 5 out of 6 in 7pcx

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Chlorine binding site 5 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W 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 5 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:7.0
occ:1.00
NE1 E:TRP107 3.2 6.8 1.0
ND2 E:ASN41 3.3 8.8 1.0
N E:PRO206 3.5 6.7 1.0
CA E:PRO206 3.7 7.0 1.0
C20 E:OEH301 3.7 8.4 1.0
CD1 E:TRP107 3.7 6.7 1.0
CD E:PRO206 3.8 7.5 1.0
C E:PHE205 3.8 6.3 1.0
CB E:PHE205 3.9 6.8 1.0
CZ E:PHE168 3.9 8.8 1.0
CD1 E:LEU209 3.9 8.8 1.0
CB E:ASN41 3.9 7.0 1.0
CB E:PRO206 4.0 7.8 1.0
C19 E:OEH301 4.0 9.9 1.0
O E:PHE205 4.1 7.0 1.0
CG E:LEU209 4.1 8.2 1.0
CG E:ASN41 4.1 7.0 1.0
CD2 E:LEU209 4.2 8.4 1.0
CE2 E:PHE168 4.4 9.5 1.0
C18 E:OEH301 4.4 9.2 1.0
CG E:PRO206 4.4 7.4 1.0
CA E:PHE205 4.5 7.3 1.0
CE2 E:TRP107 4.5 7.4 1.0
CE2 E:PHE149 4.6 9.0 1.0
OD1 E:ASP106 4.7 7.2 1.0
CE1 E:PHE168 4.8 9.1 1.0
CG E:PHE205 4.9 6.2 1.0
OD2 E:ASP106 5.0 7.2 1.0

Chlorine binding site 6 out of 6 in 7pcx

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Chlorine binding site 6 out of 6 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W 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 6 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl302

b:8.7
occ:1.00
NE1 F:TRP107 3.2 8.8 1.0
ND2 F:ASN41 3.3 8.9 1.0
N F:PRO206 3.5 8.0 1.0
CA F:PRO206 3.7 8.8 1.0
CD1 F:TRP107 3.7 7.8 1.0
C20 F:OEH301 3.8 10.7 1.0
C F:PHE205 3.8 8.6 1.0
CD F:PRO206 3.8 10.5 1.0
CZ F:PHE168 3.8 10.1 1.0
CD1 F:LEU209 3.9 9.9 1.0
CB F:ASN41 3.9 8.7 1.0
CB F:PHE205 3.9 8.0 1.0
CG F:LEU209 4.0 7.9 1.0
CB F:PRO206 4.0 9.9 1.0
O F:PHE205 4.0 8.9 1.0
C19 F:OEH301 4.1 9.5 1.0
CG F:ASN41 4.1 6.5 1.0
CD2 F:LEU209 4.1 12.6 1.0
CE2 F:PHE168 4.4 10.6 1.0
CE2 F:TRP107 4.4 9.1 1.0
CA F:PHE205 4.5 8.9 1.0
C18 F:OEH301 4.5 9.8 1.0
CG F:PRO206 4.5 9.3 1.0
CE2 F:PHE149 4.6 10.2 1.0
CE1 F:PHE168 4.7 11.3 1.0
OD1 F:ASP106 4.8 7.5 1.0
CG F:PHE205 4.9 7.5 1.0

Reference:

M.Tarnawski, M.Frei, J.Hiblot, K.Johnsson. X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-Q165W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate To Be Published.
Page generated: Tue Jul 30 02:21:35 2024

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