Chlorine in PDB 4n2o: Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens

The structure of Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens, PDB code: 4n2o was solved by F.Frolow, M.Voronov-Goldman, M.Levy-Assaraf, R.Lamed, E.Bayer, L.Shimon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.77 / 2.44
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.240, 67.726, 258.907, 90.00, 93.08, 90.00
R / Rfree (%)	20.5 / 22.9

The binding sites of Chlorine atom in the Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens (pdb code 4n2o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens, PDB code: 4n2o:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:53.7 occ:1.00 O A:HOH446 2.5 31.4 1.0 O A:ASN157 2.9 27.2 1.0 NZ A:LYS120 3.0 34.9 1.0 CE A:LYS120 3.3 31.6 1.0 CD A:LYS120 3.4 29.7 1.0 CA A:TYR72 3.7 27.4 1.0 C A:ASN157 3.8 27.0 1.0 N A:TYR72 3.9 27.0 1.0 C A:TYR72 3.9 30.6 1.0 CD A:PRO73 4.0 32.2 1.0 N A:PRO73 4.0 32.5 1.0 O A:ILE71 4.1 26.8 1.0 C A:ILE71 4.2 26.4 1.0 CB A:ASN157 4.2 28.0 1.0 CG1 A:ILE71 4.3 30.2 1.0 CD1 A:ILE71 4.3 31.1 1.0 N A:LEU158 4.5 26.9 1.0 O A:TYR72 4.5 26.7 1.0 CA A:ASN157 4.5 26.5 1.0 CG A:PRO73 4.6 37.1 1.0 N A:GLY159 4.6 28.3 1.0 CA A:LEU158 4.6 26.1 1.0 CG A:LYS120 4.6 27.8 1.0 CB A:ILE71 4.9 28.2 1.0 C A:LEU158 4.9 25.0 1.0 CA A:PRO73 5.0 33.1 1.0

Chlorine binding site 2 out of 4 in the Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:57.0 occ:1.00 O A:THR141 3.7 25.4 1.0 NH1 A:ARG143 3.9 44.5 1.0 CA A:PHE90 4.1 28.7 1.0 CZ A:ARG143 4.1 43.3 1.0 CG A:ARG143 4.1 27.9 1.0 OE1 A:GLU79 4.1 26.8 1.0 O A:ALA89 4.2 27.3 1.0 N A:GLN91 4.2 31.4 1.0 N A:PHE90 4.2 29.5 1.0 C A:PHE90 4.3 27.7 1.0 C A:ALA89 4.3 28.8 1.0 NE A:ARG143 4.4 38.2 1.0 C A:PHE142 4.4 28.3 1.0 CA A:PHE142 4.4 28.0 1.0 N A:ARG143 4.5 26.4 1.0 C A:THR141 4.5 27.1 1.0 CD A:ARG143 4.6 31.8 1.0 NH2 A:ARG143 4.6 44.9 1.0 CB A:ALA89 4.7 29.4 1.0 CB A:ARG143 4.7 24.8 1.0 CB A:GLN91 4.8 38.7 1.0 O A:HOH402 4.8 17.3 1.0 CD A:GLU79 4.8 26.1 1.0 O A:PHE142 4.9 27.8 1.0 N A:PHE142 4.9 27.1 1.0 O A:PHE90 4.9 25.4 1.0

Chlorine binding site 3 out of 4 in the Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:71.1 occ:1.00 CE1 B:PHE24 3.4 30.3 1.0 CD1 B:PHE24 3.6 31.8 1.0 O B:HOH402 3.8 41.4 1.0 NE A:ARG86 3.9 51.5 1.0 O B:ALA23 4.2 41.4 1.0 NH2 A:ARG86 4.3 74.4 1.0 O A:GLU84 4.3 40.4 1.0 CZ B:PHE24 4.3 31.6 1.0 OE1 A:GLU85 4.4 40.2 1.0 OH B:TYR162 4.5 31.6 1.0 CZ A:ARG86 4.6 55.5 1.0 CG2 B:VAL27 4.6 39.2 1.0 CG B:PHE24 4.6 32.9 1.0 CD A:ARG86 4.8 40.3 1.0 C B:ALA23 4.9 36.5 1.0

Chlorine binding site 4 out of 4 in the Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of A Novel Autonomous Cohesin Protein From Ruminococcus Flavefaciens within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:78.7 occ:1.00 O H:HOH436 2.4 47.2 1.0 O H:HOH430 2.4 41.9 1.0 O H:THR141 2.9 31.4 1.0 O H:HOH446 3.1 46.9 1.0 C H:THR141 3.6 31.5 1.0 C H:PHE142 3.8 32.3 1.0 CA H:PHE142 3.9 30.4 1.0 CG H:ARG143 3.9 47.4 1.0 N H:GLN91 3.9 39.3 1.0 CG2 H:THR141 4.0 33.3 1.0 N H:PHE142 4.0 33.3 1.0 O H:PHE142 4.0 31.3 1.0 CB H:GLN91 4.2 42.0 1.0 CZ H:ARG143 4.2 62.6 1.0 N H:ARG143 4.3 34.7 1.0 NE H:ARG143 4.3 61.9 1.0 CA H:PHE90 4.3 31.1 1.0 CB H:THR141 4.3 32.0 1.0 C H:PHE90 4.4 34.3 1.0 NH1 H:ARG143 4.4 63.8 1.0 NH2 H:ARG143 4.5 72.2 1.0 CA H:THR141 4.6 30.5 1.0 CD H:ARG143 4.6 49.8 1.0 CA H:GLN91 4.7 38.0 1.0 CB H:ARG143 4.7 40.5 1.0 O H:ALA89 4.8 32.8 1.0 O H:HOH435 4.9 44.5 1.0 N H:PHE90 4.9 32.0 1.0

M.Voronov-Goldman, M.Levy-Assaraf, O.Yaniv, G.Wisserman, S.Jindou, I.Borovok, E.A.Bayer, R.Lamed, L.J.Shimon, F.Frolow. Structural Characterization of A Novel Autonomous Cohesin From Ruminococcus Flavefaciens. Acta Crystallogr F Struct V. 70 450 2014BIOL Commun.
ISSN: ISSN 1744-3091
PubMed: 24699736
DOI: 10.1107/S2053230X14004051