Chlorine in PDB 6cod: Athnl Enantioselectivity Mutant at-A9-H7 Apo Y13C,Y121L,P126F,L128W, C131T,F179L,A209I with Benzaldehyde

All present enzymatic activity of Athnl Enantioselectivity Mutant at-A9-H7 Apo Y13C,Y121L,P126F,L128W, C131T,F179L,A209I with Benzaldehyde:
4.1.2.10;

The structure of Athnl Enantioselectivity Mutant at-A9-H7 Apo Y13C,Y121L,P126F,L128W, C131T,F179L,A209I with Benzaldehyde, PDB code: 6cod 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 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.772, 87.002, 122.775, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 19.4

The binding sites of Chlorine atom in the Athnl Enantioselectivity Mutant at-A9-H7 Apo Y13C,Y121L,P126F,L128W, C131T,F179L,A209I with Benzaldehyde (pdb code 6cod). 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,F179L,A209I with Benzaldehyde, PDB code: 6cod:
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,F179L,A209I with Benzaldehyde


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,F179L,A209I with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:28.9 occ:1.00 C1' A:HBX304 2.5 42.9 0.8 O1' A:HBX304 3.1 31.2 0.8 C1 A:HBX304 3.1 41.3 0.8 OG A:SER81 3.2 26.2 1.0 N A:PHE82 3.2 17.8 1.0 N A:ALA13 3.3 15.0 1.0 CB A:PHE82 3.4 17.7 1.0 C2 A:HBX304 3.5 38.5 0.8 CB A:ASN12 3.5 16.6 1.0 CB A:SER81 3.5 22.4 1.0 CE1 A:PHE179 3.8 22.9 1.0 CB A:ALA13 3.8 17.6 1.0 CA A:PHE82 3.9 16.7 1.0 C6 A:HBX304 4.0 39.1 0.8 CA A:ALA13 4.1 16.2 1.0 CA A:ASN12 4.1 15.0 1.0 C A:ASN12 4.2 15.0 1.0 O A:ALA13 4.2 14.4 1.0 C A:SER81 4.2 19.5 1.0 ND2 A:ASN12 4.4 16.8 1.0 CG A:ASN12 4.4 15.2 1.0 CA A:SER81 4.4 21.9 1.0 CZ A:PHE179 4.5 26.6 1.0 C3 A:HBX304 4.6 40.1 0.8 C A:ALA13 4.6 15.3 1.0 CD1 A:PHE179 4.6 21.3 1.0 CG A:PHE82 4.7 19.6 1.0 CE2 A:PHE107 4.8 23.5 1.0

Chlorine binding site 2 out of 2 in the Athnl Enantioselectivity Mutant at-A9-H7 Apo Y13C,Y121L,P126F,L128W, C131T,F179L,A209I with Benzaldehyde


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,F179L,A209I with Benzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:27.6 occ:1.00 C1' B:HBX302 2.6 40.4 0.8 O1' B:HBX302 2.9 27.1 0.8 OG B:SER81 3.1 22.0 1.0 N B:PHE82 3.1 16.7 1.0 N B:ALA13 3.2 15.0 1.0 CB B:PHE82 3.3 19.3 1.0 C1 B:HBX302 3.3 33.3 0.8 CB B:SER81 3.4 19.3 1.0 CB B:ASN12 3.5 14.7 1.0 CB B:ALA13 3.8 17.1 1.0 CE1 B:PHE179 3.8 32.8 1.0 CA B:PHE82 3.8 16.6 1.0 C6 B:HBX302 3.9 30.2 0.8 CA B:ASN12 3.9 13.8 1.0 CA B:ALA13 4.0 14.2 1.0 C B:ASN12 4.0 14.4 1.0 C2 B:HBX302 4.1 34.1 0.8 C B:SER81 4.1 17.9 1.0 O B:ALA13 4.3 14.3 1.0 CA B:SER81 4.3 18.1 1.0 ND2 B:ASN12 4.4 17.1 1.0 CG B:ASN12 4.5 14.5 1.0 CG B:PHE82 4.6 19.9 1.0 CD1 B:PHE179 4.6 29.6 1.0 C B:ALA13 4.6 14.4 1.0 CZ B:PHE179 4.7 31.8 1.0 O B:PHE80 5.0 13.5 1.0 C B:PHE82 5.0 15.7 1.0

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