Chlorine in PDB 7pcw: X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate

Enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate

All present enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-M175W 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-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate, PDB code: 7pcw 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) 40.36 / 2.30
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.32, 76.56, 85.76, 68.4, 79.81, 79.02
R / Rfree (%) 19.1 / 24.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate (pdb code 7pcw). 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-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate, PDB code: 7pcw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7pcw

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Chlorine binding site 1 out of 4 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-M175W 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-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:22.2
occ:1.00
 NE1 A:TRP107 3.3 24.0 1.0
ND2 A:ASN41 3.3 18.5 1.0
N A:PRO206 3.4 20.3 1.0
CA A:PRO206 3.6 22.4 1.0
C A:PHE205 3.7 23.9 1.0
CD A:PRO206 3.7 19.4 1.0
CD1 A:TRP107 3.8 20.1 1.0
CB A:PHE205 3.8 23.6 1.0
CZ A:PHE168 3.9 26.2 1.0
C20 A:OEH301 3.9 25.7 1.0
CB A:ASN41 3.9 23.0 1.0
CB A:PRO206 3.9 19.9 1.0
O A:PHE205 4.0 20.8 1.0
CD1 A:LEU209 4.0 22.1 1.0
CD2 A:LEU209 4.1 18.4 1.0
CG A:ASN41 4.1 22.1 1.0
CG A:LEU209 4.1 24.9 1.0
C19 A:OEH301 4.2 27.4 1.0
C18 A:OEH301 4.3 21.5 1.0
CA A:PHE205 4.4 25.2 1.0
CG A:PRO206 4.4 20.0 1.0
CE2 A:TRP107 4.5 23.4 1.0
CE2 A:PHE168 4.5 20.4 1.0
CE2 A:PHE149 4.7 26.6 1.0
CE1 A:PHE168 4.7 20.3 1.0
OD1 A:ASP106 4.7 27.1 1.0
CG A:PHE205 4.8 23.5 1.0

Chlorine binding site 2 out of 4 in 7pcw

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Chlorine binding site 2 out of 4 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-M175W 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-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:20.8
occ:1.00
 NE1 B:TRP107 3.2 24.2 1.0
N B:PRO206 3.4 19.1 1.0
ND2 B:ASN41 3.5 19.4 1.0
CA B:PRO206 3.6 23.7 1.0
CD1 B:TRP107 3.6 22.7 1.0
C B:PHE205 3.7 22.1 1.0
CD B:PRO206 3.8 17.9 1.0
CB B:PRO206 3.9 24.4 1.0
C20 B:OEH301 3.9 23.0 1.0
CD1 B:LEU209 3.9 20.3 1.0
CB B:PHE205 3.9 19.5 1.0
CZ B:PHE168 4.0 16.1 1.0
CB B:ASN41 4.0 24.5 1.0
O B:PHE205 4.0 20.2 1.0
CG B:LEU209 4.0 21.2 1.0
CD2 B:LEU209 4.1 19.8 1.0
C19 B:OEH301 4.1 25.4 1.0
C18 B:OEH301 4.2 29.7 1.0
CG B:ASN41 4.3 22.4 1.0
CE2 B:TRP107 4.4 24.8 1.0
CG B:PRO206 4.4 23.0 1.0
CA B:PHE205 4.5 21.4 1.0
OD1 B:ASP106 4.6 26.3 1.0
CE2 B:PHE168 4.6 22.2 1.0
CE2 B:PHE149 4.7 17.1 1.0
CE1 B:PHE168 4.8 19.8 1.0
CG B:PHE205 4.9 25.5 1.0
CG B:TRP107 5.0 20.3 1.0
OD2 B:ASP106 5.0 27.9 1.0

Chlorine binding site 3 out of 4 in 7pcw

Go back to Chlorine Binding Sites List in 7pcw
Chlorine binding site 3 out of 4 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-M175W 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-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:21.4
occ:1.00
 NE1 C:TRP107 3.3 28.2 1.0
ND2 C:ASN41 3.4 22.3 1.0
N C:PRO206 3.4 21.9 1.0
CA C:PRO206 3.6 19.8 1.0
C C:PHE205 3.7 24.0 1.0
CD1 C:TRP107 3.8 24.1 1.0
CD C:PRO206 3.8 17.1 1.0
CB C:PRO206 3.9 16.0 1.0
CD1 C:LEU209 3.9 23.5 1.0
C20 C:OEH301 3.9 32.6 1.0
CZ C:PHE168 3.9 24.3 1.0
CB C:PHE205 3.9 26.8 1.0
CB C:ASN41 4.0 21.5 1.0
O C:PHE205 4.0 27.0 1.0
CG C:LEU209 4.1 27.3 1.0
CD2 C:LEU209 4.2 21.3 1.0
CG C:ASN41 4.2 27.1 1.0
C18 C:OEH301 4.2 29.0 1.0
C19 C:OEH301 4.3 33.2 1.0
CG C:PRO206 4.4 22.3 1.0
CA C:PHE205 4.5 25.6 1.0
CE2 C:PHE168 4.5 19.5 1.0
CE2 C:TRP107 4.5 28.6 1.0
OD1 C:ASP106 4.6 31.2 1.0
CE2 C:PHE149 4.8 17.1 1.0
CE1 C:PHE168 4.8 16.9 1.0
CG C:PHE205 4.9 24.7 1.0
C C:PRO206 5.0 25.5 1.0

Chlorine binding site 4 out of 4 in 7pcw

Go back to Chlorine Binding Sites List in 7pcw
Chlorine binding site 4 out of 4 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-M175W 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-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:25.1
occ:1.00
 NE1 D:TRP107 3.0 26.0 1.0
N D:PRO206 3.4 22.9 1.0
ND2 D:ASN41 3.5 24.5 1.0
CD1 D:TRP107 3.6 26.0 1.0
CA D:PRO206 3.6 23.4 1.0
C D:PHE205 3.6 24.8 1.0
C20 D:OEH301 3.7 34.6 1.0
CB D:PHE205 3.8 22.6 1.0
O D:PHE205 3.8 24.6 1.0
CB D:PRO206 3.9 16.6 1.0
CD D:PRO206 3.9 22.3 1.0
CB D:ASN41 4.0 26.4 1.0
CD1 D:LEU209 4.0 24.9 1.0
CG D:LEU209 4.1 23.4 1.0
CD2 D:LEU209 4.1 20.9 1.0
CZ D:PHE168 4.2 32.6 1.0
C19 D:OEH301 4.2 28.5 1.0
CE2 D:TRP107 4.2 27.3 1.0
C18 D:OEH301 4.2 30.3 1.0
CG D:ASN41 4.3 29.7 1.0
CA D:PHE205 4.3 23.9 1.0
CG D:PRO206 4.5 20.7 1.0
OD1 D:ASP106 4.6 25.9 1.0
CG D:PHE205 4.7 25.0 1.0
CE2 D:PHE168 4.8 28.3 1.0
CZ2 D:TRP107 4.8 22.9 1.0
CG D:TRP107 4.9 19.9 1.0
CE1 D:PHE168 4.9 25.8 1.0
CE2 D:PHE149 4.9 24.3 1.0
OD2 D:ASP106 4.9 31.6 1.0

Reference:

M.Tarnawski, M.Frei, J.Hiblot, K.Johnsson. X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7-M175W Labeled with A Chloroalkane-Tetramethylrhodamine Fluorophore Substrate To Be Published.
Page generated: Tue Jul 30 02:21:08 2024

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