Chlorine in PDB 5org: Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 in Complex with Octopine.

The structure of Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 in Complex with Octopine., PDB code: 5org 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)	29.14 / 1.99
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.490, 99.490, 157.600, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.1

The structure of Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 in Complex with Octopine. also contains other interesting chemical elements:

Sodium

(Na)

9 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 in Complex with Octopine. (pdb code 5org). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 in Complex with Octopine., PDB code: 5org:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 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) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:63.7 occ:1.00 N A:ILE66 3.0 31.2 1.0 O A:CYS64 3.6 48.0 1.0 CA A:GLN65 3.7 39.3 1.0 C A:GLN65 3.8 36.1 1.0 CA A:ILE66 3.9 29.5 1.0 O A:ILE66 4.0 32.0 1.0 CB A:ILE66 4.1 31.9 1.0 O A:HOH490 4.2 39.3 1.0 CG1 A:ILE66 4.4 32.6 1.0 C A:CYS64 4.4 48.4 1.0 C A:ILE66 4.4 31.7 1.0 O A:HOH497 4.5 63.5 1.0 N A:GLN65 4.5 41.2 1.0 CG A:GLN65 4.5 67.2 1.0 O A:HOH471 4.5 41.1 1.0 CB A:GLN65 4.7 41.5 1.0 CD1 A:ILE66 4.9 39.6 1.0

Chlorine binding site 2 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 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) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:73.0 occ:1.00 O A:SER175 3.5 50.0 1.0 CA A:GLY153 3.8 44.7 1.0 C A:SER175 4.0 51.3 1.0 C A:VAL176 4.0 47.9 1.0 N A:GLY153 4.1 45.4 1.0 N A:ASP177 4.2 45.2 1.0 CA A:VAL176 4.2 42.8 1.0 N A:VAL176 4.3 45.4 1.0 C A:GLY153 4.4 45.5 1.0 O A:VAL176 4.5 47.6 1.0 O A:GLY153 4.8 46.3 1.0 O A:GLY174 4.8 55.4 1.0 CA A:ASP177 4.9 44.4 1.0 CA A:SER175 4.9 52.5 1.0 CB A:ASP177 4.9 46.9 1.0 O A:THR154 5.0 42.6 1.0

Chlorine binding site 3 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 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) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl312 b:68.8 occ:1.00 ND2 A:ASN202 3.0 30.5 1.0 N A:ILE110 3.1 39.3 1.0 O A:ALA108 3.1 47.8 1.0 CA A:GLY109 3.5 40.2 1.0 CZ2 A:TRP36 3.6 33.1 1.0 OD1 A:ASN202 3.6 35.7 1.0 CG A:ASN202 3.7 36.8 1.0 C A:GLY109 3.7 42.5 1.0 CG1 A:VAL273 4.0 52.4 1.0 CG2 A:THR204 4.0 35.6 1.0 CA A:ILE110 4.1 39.1 1.0 O A:ILE110 4.1 35.8 1.0 C A:ALA108 4.1 47.0 1.0 CB A:ILE110 4.2 44.0 1.0 OG1 A:THR204 4.2 41.0 1.0 N A:GLY109 4.3 41.4 1.0 CH2 A:TRP36 4.4 33.6 1.0 CG1 A:ILE110 4.5 45.6 1.0 CB A:VAL273 4.5 53.5 1.0 CE2 A:TRP36 4.5 32.4 1.0 C A:ILE110 4.6 38.6 1.0 NE1 A:TRP36 4.8 30.1 1.0 CB A:THR204 4.8 36.1 1.0 O A:GLY109 4.9 41.8 1.0 O A:HOH521 5.0 50.7 1.0

Chlorine binding site 4 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 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) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl313 b:80.2 occ:1.00 NZ A:LYS179 3.3 77.9 1.0 NE A:ARG195 3.5 68.5 1.0 NH1 A:ARG195 3.7 58.6 1.0 CZ A:ARG195 4.0 76.1 1.0 CE A:LYS179 4.2 68.3 1.0 CD A:ARG195 4.6 55.5 1.0 CD A:LYS179 4.9 71.9 1.0

Chlorine binding site 5 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 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) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:94.2 occ:1.00 CE A:MET116 4.3 36.7 1.0 O A:LYS216 4.8 42.5 1.0

Chlorine binding site 6 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 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) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl315 b:84.3 occ:1.00 O A:HOH521 3.1 50.7 1.0 O A:HOH474 3.4 50.1 1.0 O A:ALA203 3.8 32.5 1.0 C A:ALA203 4.0 33.7 1.0 CB A:ALA207 4.0 36.4 1.0 CB A:ALA203 4.1 34.4 1.0 N A:THR204 4.2 30.9 1.0 CA A:THR204 4.3 30.4 1.0 CG2 A:THR204 4.5 35.6 1.0 CD1 A:LEU220 4.6 43.7 1.0 CA A:ALA203 4.7 31.9 1.0 CG1 A:VAL271 4.9 58.2 1.0 CB A:THR204 5.0 36.1 1.0

Chlorine binding site 7 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 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) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl316 b:0.7 occ:1.00 NZ A:LYS44 3.6 80.4 1.0 CG A:LYS44 3.6 47.0 1.0 O A:HOH465 3.6 36.3 1.0 CD A:LYS44 3.9 62.4 1.0 CB A:LYS44 4.0 40.9 1.0 CA A:LYS44 4.3 36.5 1.0 CE A:LYS44 4.3 75.9 1.0

Chlorine binding site 8 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 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) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl317 b:99.2 occ:1.00 NE2 A:GLN21 3.5 0.2 1.0 CD A:GLN21 4.3 0.6 1.0 OE1 A:GLN21 4.3 0.8 1.0

Chlorine binding site 9 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 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) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl318 b:0.0 occ:1.00 OD2 A:ASP177 3.2 75.8 1.0 NH1 A:ARG195 3.2 58.6 1.0 CG A:ASP177 4.1 64.7 1.0 CZ A:ARG195 4.2 76.1 1.0 OD1 A:ASP177 4.3 67.5 1.0 NH2 A:ARG195 4.4 55.1 1.0

Chlorine binding site 10 out of 14 in the Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 in Complex with Octopine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of the Periplasmic Binding Protein (Pbp) Occj From A. Tumefaciens B6 in Complex with Octopine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl319 b:60.5 occ:1.00 N A:GLY42 3.5 49.4 1.0 CB A:LYS44 3.7 40.9 1.0 CA A:GLY40 3.8 36.4 1.0 N A:LYS44 3.9 37.3 1.0 CA A:GLY42 3.9 48.6 1.0 C A:GLY40 3.9 43.6 1.0 N A:PRO41 4.0 46.4 1.0 CD A:PRO41 4.0 49.4 1.0 C A:GLY42 4.0 49.5 1.0 N A:GLY43 4.3 42.5 1.0 CG A:PRO41 4.3 55.0 1.0 CA A:LYS44 4.4 36.5 1.0 O A:GLY42 4.4 50.0 1.0 N A:GLY40 4.6 35.7 1.0 O A:GLY40 4.6 41.0 1.0 C A:PRO41 4.6 52.9 1.0 CA A:PRO41 4.8 47.5 1.0 C A:GLY43 5.0 41.1 1.0 CG A:LYS44 5.0 47.0 1.0 O A:LYS44 5.0 35.8 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