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Chlorine in PDB 6y7b: X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate

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

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

Protein crystallography data

The structure of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate, PDB code: 6y7b was solved by M.Tarnawski, K.Johnsson, J.Hiblot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.31 / 3.10
Space group P 3 2 1
Cell size a, b, c (Å), α, β, γ (°) 161.27, 161.27, 124.66, 90, 90, 120
R / Rfree (%) 20.7 / 25.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate (pdb code 6y7b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate, PDB code: 6y7b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6y7b

Go back to Chlorine Binding Sites List in 6y7b
Chlorine binding site 1 out of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine 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 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:31.1
occ:1.00
ND2 A:ASN41 3.3 25.5 1.0
NE1 A:TRP107 3.3 32.3 1.0
N A:PRO206 3.4 33.8 1.0
CA A:PRO206 3.7 36.6 1.0
CB A:PHE205 3.7 36.8 1.0
C A:PHE205 3.7 31.8 1.0
CD A:PRO206 3.7 38.1 1.0
CD1 A:LEU209 3.8 29.5 1.0
CD1 A:TRP107 3.8 31.1 1.0
C24 A:OEK301 3.8 33.2 1.0
CG A:LEU209 3.9 33.6 1.0
CZ A:PHE168 4.0 27.1 1.0
O A:PHE205 4.0 31.6 1.0
CB A:PRO206 4.0 37.2 1.0
CD2 A:LEU209 4.0 22.5 1.0
CB A:ASN41 4.0 29.2 1.0
C23 A:OEK301 4.1 30.7 1.0
CG A:ASN41 4.2 29.8 1.0
CA A:PHE205 4.3 33.1 1.0
C22 A:OEK301 4.4 24.4 1.0
CG A:PRO206 4.4 34.4 1.0
CE2 A:PHE168 4.5 33.6 1.0
CE2 A:TRP107 4.5 29.8 1.0
CE1 A:PHE149 4.6 37.5 1.0
OD1 A:ASP106 4.8 31.3 1.0
CE1 A:PHE168 4.9 26.4 1.0
CG A:PHE205 4.9 43.3 1.0

Chlorine binding site 2 out of 5 in 6y7b

Go back to Chlorine Binding Sites List in 6y7b
Chlorine binding site 2 out of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine 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 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:41.5
occ:1.00
ND2 B:ASN41 3.3 32.4 1.0
NE1 B:TRP107 3.5 30.7 1.0
N B:PRO206 3.5 30.5 1.0
CA B:PRO206 3.7 37.7 1.0
CB B:PHE205 3.8 35.2 1.0
CD B:PRO206 3.8 36.1 1.0
C B:PHE205 3.8 36.8 1.0
CD1 B:LEU209 3.9 32.6 1.0
CZ B:PHE168 3.9 46.1 1.0
C24 B:OEK301 3.9 29.8 1.0
CD1 B:TRP107 4.0 33.5 1.0
CG B:LEU209 4.0 34.3 1.0
CB B:PRO206 4.1 40.8 1.0
C23 B:OEK301 4.1 28.5 1.0
O B:PHE205 4.1 38.1 1.0
CD2 B:LEU209 4.1 35.4 1.0
CB B:ASN41 4.1 35.2 1.0
CG B:ASN41 4.2 42.3 1.0
C22 B:OEK301 4.3 34.1 1.0
CE2 B:PHE168 4.4 45.5 1.0
CA B:PHE205 4.5 38.7 1.0
CG B:PRO206 4.5 34.8 1.0
CE2 B:PHE149 4.6 43.9 1.0
CE2 B:TRP107 4.7 33.3 1.0
CE1 B:PHE168 4.7 44.1 1.0
OD1 B:ASP106 4.8 36.1 1.0
CG B:PHE205 4.9 36.2 1.0

Chlorine binding site 3 out of 5 in 6y7b

Go back to Chlorine Binding Sites List in 6y7b
Chlorine binding site 3 out of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine 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 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:40.7
occ:1.00
NE1 C:TRP107 3.1 47.7 1.0
ND2 C:ASN41 3.2 50.5 1.0
CD1 C:TRP107 3.6 44.0 1.0
C24 C:OEK301 3.7 40.4 1.0
N C:PRO206 3.7 51.9 1.0
CB C:PHE205 3.7 53.2 1.0
C23 C:OEK301 3.9 33.4 1.0
C C:PHE205 3.9 58.4 1.0
CD C:PRO206 3.9 54.9 1.0
CA C:PRO206 4.0 50.2 1.0
CD1 C:LEU209 4.0 40.4 1.0
CD2 C:LEU209 4.0 33.1 1.0
CG C:LEU209 4.0 39.3 1.0
CB C:ASN41 4.1 52.6 1.0
CZ C:PHE168 4.1 51.0 1.0
CG C:ASN41 4.1 56.0 1.0
C22 C:OEK301 4.2 38.6 1.0
O C:PHE205 4.3 64.4 1.0
CE2 C:TRP107 4.3 48.6 1.0
CB C:PRO206 4.4 51.4 1.0
CA C:PHE205 4.5 52.8 1.0
CE2 C:PHE168 4.7 57.6 1.0
CE2 C:PHE149 4.7 49.4 1.0
CG C:PRO206 4.7 53.6 1.0
OD1 C:ASP106 4.8 50.2 1.0
OD2 C:ASP106 4.8 44.4 1.0
CG C:PHE205 4.9 60.6 1.0
CZ2 C:TRP107 4.9 44.5 1.0
CE1 C:PHE168 5.0 50.5 1.0
CG C:TRP107 5.0 49.9 1.0

Chlorine binding site 4 out of 5 in 6y7b

Go back to Chlorine Binding Sites List in 6y7b
Chlorine binding site 4 out of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine 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 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:46.5
occ:1.00
NE1 D:TRP107 3.2 34.3 1.0
ND2 D:ASN41 3.3 36.1 1.0
N D:PRO206 3.6 32.1 1.0
CD1 D:TRP107 3.7 41.5 1.0
CB D:PHE205 3.7 38.7 1.0
CD1 D:LEU209 3.8 41.6 1.0
C D:PHE205 3.9 42.3 1.0
CZ D:PHE168 3.9 38.1 1.0
CA D:PRO206 3.9 37.6 1.0
CD D:PRO206 3.9 31.6 1.0
CB D:ASN41 4.0 41.9 1.0
CG D:LEU209 4.0 46.0 1.0
CD2 D:LEU209 4.0 36.5 1.0
C24 D:OEK301 4.0 33.5 1.0
CG D:ASN41 4.1 35.8 1.0
O D:PHE205 4.2 46.4 1.0
C23 D:OEK301 4.2 24.0 1.0
CB D:PRO206 4.3 39.0 1.0
CE2 D:PHE168 4.4 38.2 1.0
CE2 D:TRP107 4.4 36.0 1.0
CA D:PHE205 4.4 43.9 1.0
C22 D:OEK301 4.5 27.6 1.0
CE2 D:PHE149 4.7 39.4 1.0
CG D:PRO206 4.7 37.8 1.0
CE1 D:PHE168 4.7 43.1 1.0
CG D:PHE205 4.8 46.1 1.0
OD1 D:ASP106 4.9 51.5 1.0
CG D:TRP107 5.0 47.7 1.0

Chlorine binding site 5 out of 5 in 6y7b

Go back to Chlorine Binding Sites List in 6y7b
Chlorine binding site 5 out of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine 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 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:58.4
occ:1.00
NE1 E:TRP107 2.9 55.3 1.0
CD1 E:TRP107 3.4 71.1 1.0
CB E:PHE205 3.5 81.1 1.0
N E:PRO206 3.7 74.0 1.0
ND2 E:ASN41 3.7 77.3 1.0
CD1 E:LEU209 3.8 51.1 1.0
C E:PHE205 3.9 74.4 1.0
C24 E:OEK301 3.9 55.4 1.0
CG E:LEU209 3.9 58.1 1.0
CD E:PRO206 4.0 60.9 1.0
CD2 E:LEU209 4.0 56.3 1.0
CA E:PRO206 4.1 63.1 1.0
C23 E:OEK301 4.1 42.0 1.0
CZ E:PHE168 4.2 69.6 1.0
CE2 E:TRP107 4.2 60.9 1.0
O E:PHE205 4.2 56.2 1.0
CB E:ASN41 4.3 85.1 1.0
CA E:PHE205 4.3 76.6 1.0
C22 E:OEK301 4.5 44.1 1.0
CG E:ASN41 4.5 77.3 1.0
CB E:PRO206 4.6 61.2 1.0
CG E:PHE205 4.6 80.4 1.0
OD2 E:ASP106 4.6 68.9 1.0
CG E:TRP107 4.7 74.2 1.0
OD1 E:ASP106 4.8 51.6 1.0
CG E:PRO206 4.9 66.9 1.0
CE2 E:PHE149 4.9 53.3 1.0
CE2 E:PHE168 4.9 69.7 1.0
CZ2 E:TRP107 4.9 64.7 1.0

Reference:

M.Tarnawski, K.Johnsson, J.Hiblot. X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate To Be Published.
Page generated: Mon Jul 29 17:31:42 2024

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