Chlorine in PDB 8b6p: X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156)

All present enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156):
3.8.1.5;

The structure of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156), PDB code: 8b6p 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)	42.79 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.87, 94.66, 100.11, 90, 90, 90
R / Rfree (%)	13.7 / 14.9

The binding sites of Chlorine atom in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156) (pdb code 8b6p). 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 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156), PDB code: 8b6p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156)


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 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl400 b:8.3 occ:1.00 NE1 A:TRP260 3.3 6.0 1.0 ND2 A:ASN194 3.4 6.7 1.0 N A:PRO52 3.6 6.0 1.0 CA A:PRO52 3.7 6.7 1.0 CD1 A:TRP260 3.7 5.8 1.0 CD A:PRO52 3.7 6.8 1.0 C A:PHE51 3.8 6.2 1.0 CB A:PHE51 3.9 6.0 1.0 CZ A:PHE14 3.9 9.0 1.0 CD1 A:LEU55 3.9 10.1 1.0 CB A:ASN194 4.0 6.1 1.0 CB A:PRO52 4.0 7.5 1.0 O A:PHE51 4.1 6.6 1.0 CG A:ASN194 4.2 6.1 1.0 CG A:LEU55 4.2 8.6 1.0 CE2 A:PHE14 4.2 10.0 1.0 CD2 A:LEU55 4.3 9.8 1.0 CE2 A:PHE302 4.4 9.7 1.0 CG A:PRO52 4.5 7.5 1.0 CA A:PHE51 4.5 5.9 1.0 CE2 A:TRP260 4.6 5.8 1.0 CG A:PHE51 4.9 6.0 1.0 OD1 A:ASP259 4.9 5.8 1.0 CE1 A:PHE14 4.9 10.8 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156)


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 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl400 b:9.0 occ:1.00 NE1 B:TRP260 3.3 6.5 1.0 ND2 B:ASN194 3.4 6.8 1.0 N B:PRO52 3.6 6.2 1.0 CD1 B:TRP260 3.7 6.2 1.0 CA B:PRO52 3.7 7.0 1.0 CD B:PRO52 3.8 7.0 1.0 C B:PHE51 3.8 6.2 1.0 CZ B:PHE14 3.8 9.3 1.0 CB B:PHE51 3.9 6.4 1.0 CD1 B:LEU55 3.9 9.9 1.0 CB B:ASN194 4.0 6.3 1.0 CB B:PRO52 4.1 7.5 1.0 O B:PHE51 4.1 6.3 1.0 CG B:LEU55 4.1 8.8 1.0 CG B:ASN194 4.2 6.0 1.0 CE2 B:PHE14 4.3 10.3 1.0 CD2 B:LEU55 4.3 9.8 1.0 CE2 B:PHE302 4.3 8.6 1.0 CA B:PHE51 4.5 5.9 1.0 CG B:PRO52 4.5 7.7 1.0 CE2 B:TRP260 4.6 6.3 1.0 CE1 B:PHE14 4.8 10.7 1.0 CG B:PHE51 4.9 6.0 1.0 OD2 B:ASP259 4.9 6.1 1.0

M.Tarnawski, K.Johnsson, J.Hiblot. X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Circular Permutated at Positions 154-156 (CPHALOTAG7_154-156) To Be Published.