Chlorine in PDB 8c7e: Serendipitous Cyanase Structure From Serratia-Like Contamination

All present enzymatic activity of Serendipitous Cyanase Structure From Serratia-Like Contamination:
4.2.1.104;

The structure of Serendipitous Cyanase Structure From Serratia-Like Contamination, PDB code: 8c7e was solved by Y.Bloch, K.Skladanowska, S.N.Savvides, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.05 / 2.80
Space group	P 65 1
Cell size a, b, c (Å), α, β, γ (°)	90.121, 90.121, 736.358, 90, 90, 120
R / Rfree (%)	20.2 / 23.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Chlorine atom in the Serendipitous Cyanase Structure From Serratia-Like Contamination (pdb code 8c7e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the Serendipitous Cyanase Structure From Serratia-Like Contamination, PDB code: 8c7e:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:55.9 occ:1.00 OG A:SER122 2.9 49.2 1.0 N A:ALA123 3.1 45.8 1.0 NE J:ARG96 3.2 46.7 1.0 NH2 E:ARG96 3.3 46.7 1.0 CA A:SER122 3.4 47.7 1.0 CD1 A:ILE120 3.5 45.7 1.0 CB A:SER122 3.6 50.0 1.0 CD J:ARG96 3.6 48.7 1.0 C A:SER122 3.8 47.6 1.0 N A:ILE124 3.9 50.3 1.0 CL I:CL201 3.9 53.0 1.0 CG1 A:ILE124 4.0 46.3 1.0 CA A:ALA123 4.2 47.6 1.0 CZ E:ARG96 4.3 44.9 1.0 NE E:ARG96 4.3 40.9 1.0 CZ J:ARG96 4.3 45.0 1.0 CG J:ARG96 4.4 41.0 1.0 CD1 I:ILE120 4.4 53.7 1.0 C A:ALA123 4.5 50.0 1.0 CB A:ALA123 4.5 44.5 1.0 CB A:ILE124 4.5 47.3 1.0 N A:SER122 4.6 46.1 1.0 NH2 J:ARG96 4.6 44.1 1.0 CA A:ILE124 4.8 47.3 1.0 CD2 I:LEU151 4.9 67.3 1.0 O A:ILE121 4.9 49.4 1.0 CG1 A:ILE120 4.9 46.1 1.0 OE2 J:GLU99 5.0 54.0 1.0 O A:SER122 5.0 48.5 1.0

Chlorine binding site 2 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:50.5 occ:1.00 OG B:SER122 3.0 51.4 1.0 NE F:ARG96 3.3 45.7 1.0 NH2 A:ARG96 3.3 46.6 1.0 N B:ALA123 3.5 51.3 1.0 CD1 B:ILE120 3.6 47.6 1.0 CA B:SER122 3.6 46.6 1.0 CB B:SER122 3.7 46.7 1.0 CD F:ARG96 3.8 44.8 1.0 CG1 B:ILE124 3.9 51.1 1.0 CL J:CL201 3.9 53.0 1.0 N B:ILE124 4.0 50.0 1.0 C B:SER122 4.1 52.1 1.0 NE A:ARG96 4.3 44.8 1.0 CD1 J:ILE120 4.3 51.5 1.0 CZ A:ARG96 4.3 45.4 1.0 CZ F:ARG96 4.3 45.3 1.0 CB B:ILE124 4.4 44.6 1.0 NH2 F:ARG96 4.5 41.3 1.0 CA B:ALA123 4.5 53.2 1.0 CG F:ARG96 4.6 43.6 1.0 C B:ALA123 4.7 53.6 1.0 CD2 J:LEU151 4.8 52.6 1.0 N B:SER122 4.8 48.6 1.0 CA B:ILE124 4.9 44.5 1.0 CB B:ALA123 4.9 48.8 1.0

Chlorine binding site 3 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:54.7 occ:1.00 OG C:SER122 3.0 49.5 1.0 NH2 B:ARG96 3.2 48.1 1.0 NE G:ARG96 3.3 46.8 1.0 N C:ALA123 3.4 48.2 1.0 CD1 C:ILE120 3.5 49.2 1.0 CA C:SER122 3.6 52.6 1.0 CB C:SER122 3.8 50.4 1.0 CD G:ARG96 3.8 46.2 1.0 CG1 C:ILE124 3.8 45.7 1.0 N C:ILE124 3.9 53.6 1.0 C C:SER122 4.0 48.3 1.0 CL F:CL201 4.1 54.8 1.0 CZ B:ARG96 4.2 48.9 1.0 CB C:ILE124 4.3 48.1 1.0 CA C:ALA123 4.4 52.9 1.0 NE B:ARG96 4.4 48.3 1.0 CD1 F:ILE120 4.4 51.9 1.0 CZ G:ARG96 4.4 46.4 1.0 C C:ALA123 4.6 53.7 1.0 CG G:ARG96 4.6 44.6 1.0 NH2 G:ARG96 4.6 46.5 1.0 CB C:ALA123 4.7 46.9 1.0 CA C:ILE124 4.8 49.5 1.0 N C:SER122 4.8 48.0 1.0 CD1 C:ILE124 4.9 53.2 1.0 CG1 C:ILE120 5.0 49.6 1.0

Chlorine binding site 4 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:55.8 occ:1.00 NH2 C:ARG96 2.9 51.6 1.0 OG D:SER122 3.1 62.9 1.0 NE H:ARG96 3.5 45.3 1.0 N D:ALA123 3.5 53.1 1.0 CG1 D:ILE124 3.7 58.5 1.0 CD1 G:ILE120 3.8 50.9 1.0 CA D:SER122 3.8 46.2 1.0 CD1 D:ILE120 3.9 43.7 1.0 CZ C:ARG96 3.9 52.6 1.0 N D:ILE124 3.9 52.6 1.0 CB D:SER122 3.9 51.5 1.0 CD H:ARG96 3.9 46.6 1.0 NE C:ARG96 4.0 53.0 1.0 CL G:CL201 4.0 63.4 1.0 C D:SER122 4.2 50.6 1.0 CB D:ILE124 4.2 56.7 1.0 CA D:ALA123 4.5 55.6 1.0 CZ H:ARG96 4.5 49.3 1.0 C D:ALA123 4.6 54.4 1.0 NH2 H:ARG96 4.7 44.7 1.0 CA D:ILE124 4.7 56.6 1.0 CD1 G:LEU151 4.7 59.6 1.0 CB D:ALA123 4.8 49.7 1.0 CG H:ARG96 4.8 42.5 1.0 CD1 D:ILE124 4.9 52.8 1.0 CG1 G:ILE120 4.9 47.9 1.0 OE2 H:GLU99 5.0 54.4 1.0

Chlorine binding site 5 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:49.4 occ:1.00 OG H:SER122 3.1 48.6 1.0 NH2 I:ARG96 3.2 43.1 1.0 NE D:ARG96 3.4 48.8 1.0 CD1 H:ILE120 3.6 48.1 1.0 N H:ALA123 3.6 46.6 1.0 CA H:SER122 3.8 47.5 1.0 CG1 H:ILE124 3.8 50.1 1.0 CB H:SER122 3.9 44.9 1.0 CD D:ARG96 3.9 42.1 1.0 N H:ILE124 4.0 51.2 1.0 CD1 E:ILE120 4.0 47.9 1.0 CL E:CL201 4.1 57.8 1.0 CZ I:ARG96 4.2 48.0 1.0 C H:SER122 4.2 50.8 1.0 NE I:ARG96 4.3 44.3 1.0 CB H:ILE124 4.3 55.4 1.0 CZ D:ARG96 4.5 47.1 1.0 CD2 E:LEU151 4.5 63.2 1.0 CA H:ALA123 4.6 48.8 1.0 NH2 D:ARG96 4.6 43.8 1.0 C H:ALA123 4.7 48.7 1.0 CG D:ARG96 4.8 42.9 1.0 CA H:ILE124 4.8 55.2 1.0 CB H:ALA123 4.9 48.0 1.0

Chlorine binding site 6 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl201 b:57.8 occ:1.00 OG E:SER122 3.0 51.9 1.0 NH2 D:ARG96 3.1 43.8 1.0 N E:ALA123 3.3 52.3 1.0 NE I:ARG96 3.3 44.3 1.0 CA E:SER122 3.6 54.5 1.0 CG1 E:ILE124 3.7 51.3 1.0 CD1 E:ILE120 3.7 47.9 1.0 CD I:ARG96 3.7 42.5 1.0 CB E:SER122 3.8 51.5 1.0 N E:ILE124 3.8 52.2 1.0 C E:SER122 4.0 52.1 1.0 CL D:CL201 4.1 49.4 1.0 CZ D:ARG96 4.2 47.1 1.0 CB E:ILE124 4.3 52.9 1.0 CA E:ALA123 4.3 53.7 1.0 NE D:ARG96 4.4 48.8 1.0 CD1 H:ILE120 4.4 48.1 1.0 CZ I:ARG96 4.4 48.0 1.0 C E:ALA123 4.5 58.2 1.0 CB E:ALA123 4.6 50.0 1.0 CG I:ARG96 4.6 42.6 1.0 NH2 I:ARG96 4.6 43.1 1.0 CA E:ILE124 4.7 52.5 1.0 OE2 I:GLU99 4.7 47.0 1.0 CD1 E:ILE124 4.8 50.7 1.0 N E:SER122 4.8 47.0 1.0 CD1 H:LEU151 4.9 52.6 1.0

Chlorine binding site 7 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl201 b:54.8 occ:1.00 NE B:ARG96 3.1 48.3 1.0 OG F:SER122 3.1 58.1 1.0 NH2 G:ARG96 3.2 46.5 1.0 N F:ALA123 3.3 53.7 1.0 CD1 F:ILE120 3.5 51.9 1.0 CD B:ARG96 3.6 47.1 1.0 CA F:SER122 3.6 53.0 1.0 CB F:SER122 3.8 55.0 1.0 CG1 F:ILE124 3.9 46.5 1.0 C F:SER122 4.0 50.4 1.0 N F:ILE124 4.0 52.8 1.0 CL C:CL201 4.1 54.7 1.0 CZ B:ARG96 4.1 48.9 1.0 CZ G:ARG96 4.2 46.4 1.0 CA F:ALA123 4.3 52.6 1.0 NH2 B:ARG96 4.3 48.1 1.0 NE G:ARG96 4.3 46.8 1.0 CG B:ARG96 4.4 44.2 1.0 CD1 C:ILE120 4.4 49.2 1.0 CB F:ALA123 4.5 43.9 1.0 CD1 F:LEU151 4.5 70.3 1.0 CB F:ILE124 4.6 49.0 1.0 C F:ALA123 4.6 50.0 1.0 N F:SER122 4.8 53.9 1.0 CA F:ILE124 5.0 52.1 1.0 CG1 F:ILE120 5.0 48.8 1.0 CD1 F:ILE124 5.0 48.8 1.0

Chlorine binding site 8 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl201 b:63.4 occ:1.00 OG G:SER122 2.7 53.2 1.0 N G:ALA123 3.2 49.9 1.0 NH2 H:ARG96 3.3 44.7 1.0 CA G:SER122 3.5 46.5 1.0 CG1 G:ILE124 3.6 50.1 1.0 N G:ILE124 3.6 50.4 1.0 CB G:SER122 3.6 50.2 1.0 NE C:ARG96 3.6 53.0 1.0 C G:SER122 3.9 52.0 1.0 CD1 D:ILE120 4.0 43.7 1.0 CD1 G:ILE120 4.0 50.9 1.0 CB G:ILE124 4.0 52.2 1.0 CD C:ARG96 4.0 50.4 1.0 CL C:CL202 4.0 55.8 1.0 CA G:ALA123 4.2 53.0 1.0 CZ H:ARG96 4.3 49.3 1.0 C G:ALA123 4.3 50.9 1.0 NE H:ARG96 4.3 45.3 1.0 CA G:ILE124 4.4 52.9 1.0 CD2 D:LEU151 4.5 57.2 1.0 CB G:ALA123 4.6 49.6 1.0 CZ C:ARG96 4.7 52.6 1.0 CD1 G:ILE124 4.7 45.2 1.0 N G:SER122 4.8 48.0 1.0 CD1 G:LEU151 4.8 59.6 1.0 NH2 C:ARG96 4.9 51.6 1.0 CG C:ARG96 4.9 48.8 1.0

Chlorine binding site 9 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl201 b:53.0 occ:1.00 NH2 J:ARG96 2.9 44.1 1.0 OG I:SER122 3.1 52.5 1.0 NE E:ARG96 3.1 40.9 1.0 N I:ALA123 3.4 51.7 1.0 CD E:ARG96 3.5 44.1 1.0 CD1 I:ILE120 3.7 53.7 1.0 CA I:SER122 3.7 52.1 1.0 CB I:SER122 3.8 50.6 1.0 CZ J:ARG96 3.9 45.0 1.0 CL A:CL201 3.9 55.9 1.0 CG1 I:ILE124 3.9 51.6 1.0 NE J:ARG96 3.9 46.7 1.0 CD1 A:ILE120 4.1 45.7 1.0 C I:SER122 4.1 50.1 1.0 N I:ILE124 4.1 50.7 1.0 CZ E:ARG96 4.2 44.9 1.0 NH2 E:ARG96 4.4 46.7 1.0 CG E:ARG96 4.4 41.7 1.0 CA I:ALA123 4.4 51.2 1.0 CB I:ILE124 4.6 53.0 1.0 C I:ALA123 4.7 45.3 1.0 CB I:ALA123 4.7 43.7 1.0 N I:SER122 4.9 52.1 1.0 CD1 I:ILE124 5.0 48.7 1.0

Chlorine binding site 10 out of 20 in the Serendipitous Cyanase Structure From Serratia-Like Contamination


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Serendipitous Cyanase Structure From Serratia-Like Contamination within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl201 b:53.0 occ:1.00 OG J:SER122 3.1 53.2 1.0 NH2 F:ARG96 3.1 41.3 1.0 N J:ALA123 3.4 50.5 1.0 NE A:ARG96 3.5 44.8 1.0 CG1 J:ILE124 3.7 42.6 1.0 CD1 J:ILE120 3.7 51.5 1.0 CA J:SER122 3.7 52.7 1.0 CB J:SER122 3.9 52.7 1.0 N J:ILE124 3.9 53.4 1.0 CL A:CL202 3.9 50.5 1.0 CD A:ARG96 3.9 41.8 1.0 CD1 B:ILE120 4.1 47.6 1.0 C J:SER122 4.1 52.1 1.0 CZ F:ARG96 4.1 45.3 1.0 CB J:ILE124 4.2 44.4 1.0 NE F:ARG96 4.3 45.7 1.0 CA J:ALA123 4.4 50.0 1.0 C J:ALA123 4.5 50.2 1.0 CZ A:ARG96 4.6 45.4 1.0 CD2 B:LEU151 4.6 55.3 1.0 CB J:ALA123 4.6 45.0 1.0 CA J:ILE124 4.7 49.5 1.0 CD1 J:ILE124 4.8 40.4 1.0 CG A:ARG96 4.8 42.8 1.0 NH2 A:ARG96 4.8 46.6 1.0 N J:SER122 5.0 46.7 1.0

Y.Bloch, K.Skladanowska, S.N.Savvides. Serendipitous Cyanase Structure From Serratia-Like Contamination. To Be Published.