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

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

The structure of Athnl Enantioselectivity Mutant at-A9-H7 Apo, Y13C,Y121L,P126F,L128W, C131T,F179L,A209I, PDB code: 6cob 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 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.982, 87.110, 123.356, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 18.7

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:25.0 occ:1.00 OG A:SER81 2.9 23.2 1.0 N A:PHE82 3.2 18.0 1.0 N A:ALA13 3.3 16.7 1.0 O A:HOH477 3.3 25.6 1.0 CB A:PHE82 3.4 19.3 1.0 CB A:SER81 3.4 22.2 1.0 CB A:ASN12 3.5 17.0 1.0 CB A:ALA13 3.7 19.7 1.0 CA A:PHE82 3.9 19.3 1.0 CA A:ALA13 4.0 17.9 1.0 CA A:ASN12 4.1 16.9 1.0 C A:ASN12 4.2 18.7 1.0 C A:SER81 4.2 20.9 1.0 CD2 A:LEU179 4.3 24.9 1.0 CA A:SER81 4.4 21.2 1.0 O A:ALA13 4.4 16.9 1.0 ND2 A:ASN12 4.6 18.0 1.0 CG A:ASN12 4.6 17.3 1.0 CG A:PHE82 4.7 21.3 1.0 C A:ALA13 4.7 17.1 1.0 CE2 A:PHE107 4.9 28.4 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


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:24.5 occ:1.00 OG B:SER81 3.0 25.1 1.0 O B:HOH423 3.0 30.7 1.0 N B:PHE82 3.2 16.8 1.0 N B:ALA13 3.3 15.3 1.0 CB B:PHE82 3.4 19.5 1.0 CB B:SER81 3.4 20.4 1.0 C1 B:GOL303 3.5 63.4 1.0 CB B:ASN12 3.6 16.9 1.0 O1 B:GOL303 3.6 58.8 1.0 CB B:ALA13 3.8 18.0 1.0 C3 B:GOL303 3.8 57.6 1.0 CA B:PHE82 3.9 16.8 1.0 C2 B:GOL303 4.0 60.1 1.0 CA B:ASN12 4.1 16.3 1.0 C B:ASN12 4.1 15.4 1.0 CA B:ALA13 4.1 16.7 1.0 C B:SER81 4.2 19.3 1.0 CD2 B:LEU179 4.2 24.2 1.0 CA B:SER81 4.4 20.0 1.0 O B:ALA13 4.4 14.9 1.0 ND2 B:ASN12 4.6 18.2 1.0 CG B:ASN12 4.6 16.2 1.0 CG B:PHE82 4.7 20.8 1.0 C B:ALA13 4.8 16.0 1.0

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