Chlorine in PDB 6cof: Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,A209I

All present enzymatic activity of Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,A209I:
4.1.2.10;

The structure of Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,A209I, PDB code: 6cof was solved by B.J.Jones, R.J.Kazlauskas, R.Desrouleaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.844, 87.090, 123.119, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 19.1

The binding sites of Chlorine atom in the Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,A209I (pdb code 6cof). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,A209I, PDB code: 6cof:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,A209I


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,A209I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:18.8 occ:1.00 OG A:SER81 3.0 21.8 1.0 O A:HOH515 3.2 18.9 1.0 N A:PHE82 3.2 17.1 1.0 N A:ALA13 3.3 14.1 1.0 CB A:SER81 3.4 20.0 1.0 CB A:PHE82 3.5 16.6 1.0 CB A:ASN12 3.6 15.1 1.0 CE1 A:PHE179 3.7 19.8 1.0 CB A:ALA13 3.7 16.2 1.0 CA A:PHE82 3.9 17.3 1.0 CA A:ALA13 4.0 14.7 1.0 O A:HOH510 4.1 27.6 1.0 CA A:ASN12 4.1 13.2 1.0 C A:SER81 4.1 19.5 1.0 C A:ASN12 4.2 13.0 1.0 O A:ALA13 4.3 14.6 1.0 CA A:SER81 4.4 18.8 1.0 CZ A:PHE179 4.4 26.2 1.0 CD1 A:PHE179 4.5 20.3 1.0 ND2 A:ASN12 4.5 15.9 1.0 C A:ALA13 4.6 13.8 1.0 CG A:ASN12 4.7 13.9 1.0 CE2 A:PHE107 4.7 24.1 1.0 CG A:PHE82 4.8 18.6 1.0

Chlorine binding site 2 out of 2 in the Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,A209I


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,A209I within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:17.9 occ:1.00 OG B:SER81 3.0 20.6 1.0 O B:HOH531 3.1 19.3 1.0 N B:PHE82 3.2 16.0 1.0 N B:ALA13 3.2 12.4 1.0 CB B:PHE82 3.4 16.4 1.0 CB B:SER81 3.5 18.9 1.0 CB B:ASN12 3.6 12.8 1.0 CE1 B:PHE179 3.7 25.2 1.0 CB B:ALA13 3.8 15.1 1.0 CA B:PHE82 3.9 15.6 1.0 CA B:ALA13 4.0 13.5 1.0 O B:HOH525 4.1 25.8 1.0 CA B:ASN12 4.1 12.9 1.0 C B:ASN12 4.1 12.5 1.0 C B:SER81 4.2 18.5 1.0 O B:ALA13 4.3 13.0 1.0 CA B:SER81 4.4 19.6 1.0 CZ B:PHE179 4.4 26.6 1.0 CD1 B:PHE179 4.5 23.2 1.0 ND2 B:ASN12 4.6 14.8 1.0 C B:ALA13 4.6 13.0 1.0 CG B:ASN12 4.6 13.4 1.0 CG B:PHE82 4.7 17.2 1.0 CE2 B:PHE107 4.9 22.8 1.0

B.J.Jones, R.Desrouleaux, R.J.Kazlauskas. Athnl Enantioselectivity Mutants To Be Published.