Chlorine in PDB 5ot8: Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.

The structure of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine., PDB code: 5ot8 was solved by A.Vigouroux, S.Morera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.43 / 2.35
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	115.720, 115.720, 38.030, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 20.5

The binding sites of Chlorine atom in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. (pdb code 5ot8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine., PDB code: 5ot8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:74.7 occ:1.00 NZ A:LYS50 3.0 0.1 1.0 O A:LEU51 3.1 40.2 1.0 O2 A:EDO302 3.8 65.8 1.0 CG2 A:ILE56 3.8 38.0 1.0 CB A:LEU51 4.0 37.0 1.0 C A:LEU51 4.0 40.0 1.0 C2 A:EDO302 4.2 65.5 1.0 CE A:LYS50 4.3 93.9 1.0 CG A:LYS50 4.3 64.6 1.0 CA A:LEU51 4.4 37.3 1.0 CB A:PHE72 4.4 47.1 1.0 N A:LEU51 4.4 39.0 1.0 CG1 A:ILE56 4.6 37.6 1.0 C1 A:EDO302 4.7 66.3 1.0 CD A:LYS50 4.8 77.1 1.0 CB A:ILE56 4.9 37.9 1.0 CD2 A:PHE72 4.9 49.7 1.0 CG A:PHE72 4.9 47.7 1.0

Chlorine binding site 2 out of 9 in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:93.2 occ:1.00 NZ A:LYS269 4.1 98.9 1.0 CE B:LYS221 4.1 74.5 1.0 CD B:LYS221 4.1 71.5 1.0 OE1 A:GLN273 4.2 65.0 1.0 NE2 A:GLN273 4.6 60.0 1.0 CE A:LYS269 4.6 88.2 1.0 CG B:LYS221 4.7 64.4 1.0 CD A:GLN273 4.7 66.5 1.0

Chlorine binding site 3 out of 9 in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:97.0 occ:1.00 NZ A:LYS269 3.9 98.9 1.0 CD A:LYS269 4.6 71.7 1.0 CE A:LYS269 4.9 88.2 1.0

Chlorine binding site 4 out of 9 in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:80.8 occ:1.00 O A:HOH422 4.0 46.5 1.0

Chlorine binding site 5 out of 9 in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:76.4 occ:1.00 NE2 A:GLN272 3.1 75.6 1.0 N A:ASP278 3.4 38.5 1.0 CA A:TYR277 4.0 35.2 1.0 CB A:TYR277 4.1 35.4 1.0 CB A:ASP278 4.1 41.6 1.0 C A:TYR277 4.2 40.2 1.0 CD A:GLN272 4.3 78.3 1.0 CA A:ASP278 4.4 38.9 1.0 OE1 A:GLN272 4.7 64.6 1.0

Chlorine binding site 6 out of 9 in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:82.6 occ:1.00 CB A:ARG110 4.0 39.9 1.0 CD A:PRO111 4.2 36.3 1.0 CA A:ARG110 4.3 39.5 1.0

Chlorine binding site 7 out of 9 in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl312 b:92.5 occ:1.00 O A:ARG65 3.6 54.0 1.0 C4 A:PEG313 4.0 73.4 1.0 CA A:ARG65 4.2 48.9 1.0 C A:ARG65 4.4 53.5 1.0 O2 A:PEG313 4.5 75.3 1.0 CB A:ARG65 4.8 45.9 1.0 C3 A:PEG313 4.8 74.1 1.0 O4 A:PEG313 4.9 72.5 1.0

Chlorine binding site 8 out of 9 in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:79.9 occ:1.00 OG B:SER97 2.9 63.2 1.0 CE B:MET117 3.4 52.1 1.0 O B:THR115 3.8 44.9 1.0 CB B:SER97 3.9 49.4 1.0 O B:HOH402 4.0 38.1 1.0 O B:PHE235 4.0 57.8 1.0 N B:GLY238 4.1 50.5 1.0 O B:GLY236 4.2 61.4 1.0 O B:GLY238 4.3 46.7 1.0 CA B:GLY238 4.3 48.0 1.0 CB B:PHE235 4.4 49.8 1.0 C B:GLY238 4.4 47.8 1.0 C B:PHE235 4.6 57.4 1.0 CA B:SER97 4.8 44.3 1.0 C B:GLY236 4.8 61.8 1.0 CG2 B:THR115 4.9 46.9 1.0 C B:THR115 4.9 46.2 1.0 C B:LYS237 5.0 58.8 1.0

Chlorine binding site 9 out of 9 in the Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of the Periplasmic Binding Protein (Pbp) Noct-G97S Mutant From A. Tumefaciens C58 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:71.5 occ:1.00 NH2 B:ARG229 3.3 78.3 1.0 CZ B:ARG229 4.1 90.6 1.0 NH1 B:ARG229 4.2 77.0 1.0 NZ B:LYS212 4.3 70.0 1.0 CE B:MET225 4.4 48.1 1.0 CD B:LYS212 4.5 62.6 1.0 CE B:LYS212 4.6 67.2 1.0

A.Vigouroux, A.El Sahili, J.Lang, M.Aumont-Nicaise, Y.Dessaux, D.Faure, S.Morera. Structural Basis For High Specificity of Octopine Binding in the Plant Pathogen Agrobacterium Tumefaciens. Sci Rep V. 7 18033 2017.
ISSN: ESSN 2045-2322
PubMed: 29269740
DOI: 10.1038/S41598-017-18243-8