Chlorine in PDB 6coc: 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: 6coc 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 / 1.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.560, 86.720, 122.030, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 19

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 6coc). 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: 6coc:
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:33.0 occ:1.00 C1' A:HBX306 2.9 67.0 1.0 O1' A:HBX306 3.0 44.6 1.0 OG A:SER81 3.1 24.8 1.0 C1 A:HBX306 3.1 71.5 1.0 N A:PHE82 3.2 20.5 1.0 C6 A:HBX306 3.3 72.6 1.0 N A:ALA13 3.3 19.0 1.0 CB A:PHE82 3.4 23.1 1.0 CB A:ASN12 3.5 21.7 1.0 CB A:SER81 3.5 23.8 1.0 CB A:ALA13 3.7 22.2 1.0 CA A:PHE82 3.9 20.9 1.0 C2 A:HBX306 3.9 69.9 1.0 CA A:ALA13 4.1 20.4 1.0 CA A:ASN12 4.2 19.2 1.0 C A:ASN12 4.2 19.1 1.0 C A:SER81 4.2 22.0 1.0 C5 A:HBX306 4.2 70.1 1.0 O A:ALA13 4.3 17.1 1.0 CD2 A:LEU179 4.3 26.6 1.0 ND2 A:ASN12 4.4 21.1 1.0 CA A:SER81 4.4 23.5 1.0 CG A:ASN12 4.5 19.4 1.0 C A:ALA13 4.6 17.7 1.0 CG A:PHE82 4.7 23.4 1.0 C3 A:HBX306 4.7 74.8 1.0 CE2 A:PHE107 4.8 30.4 1.0 C4 A:HBX306 4.8 75.7 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:Cl302 b:32.9 occ:1.00 O B:HOH505 2.9 29.1 1.0 OG B:SER81 3.0 24.8 1.0 N B:PHE82 3.1 22.1 1.0 N B:ALA13 3.2 18.6 1.0 CB B:PHE82 3.3 25.9 1.0 CB B:SER81 3.4 22.5 1.0 CB B:ASN12 3.5 19.4 1.0 O B:HOH559 3.6 56.4 1.0 CB B:ALA13 3.8 21.0 1.0 CA B:PHE82 3.8 22.1 1.0 CA B:ALA13 4.0 18.5 1.0 CA B:ASN12 4.0 19.1 1.0 C B:ASN12 4.1 18.9 1.0 C B:SER81 4.2 22.2 1.0 O B:ALA13 4.3 17.6 1.0 CD2 B:LEU179 4.4 29.9 1.0 CA B:SER81 4.4 22.3 1.0 ND2 B:ASN12 4.4 21.8 1.0 CG B:ASN12 4.5 18.6 1.0 CG B:PHE82 4.6 25.1 1.0 C B:ALA13 4.6 18.1 1.0

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