Chlorine in PDB 4oat: The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine.

The structure of The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine., PDB code: 4oat was solved by K.Tan, H.Li, R.Jedrzejczak, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.49 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.912, 101.179, 149.577, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 15

The structure of The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine. also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine. (pdb code 4oat). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine., PDB code: 4oat:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:18.6 occ:0.66 O A:HOH837 2.7 25.4 0.8 N A:THR234 2.8 11.5 1.0 N A:ASP235 3.0 12.0 1.0 OG1 A:THR234 3.4 12.4 1.0 CA A:ASP233 3.6 11.3 1.0 CB A:ASP235 3.6 15.6 1.0 C A:ASP233 3.7 11.7 1.0 CA A:THR234 3.7 12.1 1.0 C A:THR234 3.8 12.3 1.0 CA A:ASP235 3.8 13.1 1.0 CB A:ASP233 3.9 11.4 1.0 O A:ASP235 4.0 13.0 1.0 CB A:THR234 4.1 12.6 1.0 OD1 A:ASP233 4.3 13.7 1.0 CG A:ASP233 4.4 12.1 1.0 C A:ASP235 4.4 11.6 1.0 O A:HOH900 4.5 30.3 0.8 CG2 A:THR234 4.6 13.4 1.0 O A:HOH658 4.7 13.1 0.9 CG A:ASP235 4.9 20.2 1.0 O A:ASP233 4.9 12.2 1.0 O A:THR232 4.9 11.3 1.0 N A:ASP233 4.9 10.8 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:22.8 occ:0.72 O B:HOH859 2.7 37.3 1.0 O B:HOH916 2.9 41.3 0.9 N B:THR234 3.0 10.4 1.0 N B:ASP235 3.0 10.9 1.0 CB B:ASP235 3.6 14.5 1.0 CA B:ASP233 3.6 11.2 1.0 CB B:ASP233 3.7 11.4 1.0 C B:ASP233 3.8 10.8 1.0 O B:ASP235 3.8 12.2 1.0 CA B:ASP235 3.8 11.8 1.0 OG1 B:THR234 3.8 12.4 1.0 CA B:THR234 3.9 10.8 1.0 C B:THR234 3.9 10.8 1.0 OD1 B:ASP233 4.1 14.9 1.0 CG B:ASP233 4.1 12.4 1.0 C B:ASP235 4.3 11.3 1.0 CB B:THR234 4.5 11.5 1.0 O B:HOH656 4.6 14.5 0.9 O B:HOH616 4.9 17.3 1.0 OD2 B:ASP233 4.9 12.6 1.0 CG B:ASP235 4.9 18.1 1.0 N B:ASP233 5.0 10.8 1.0 O B:ASP233 5.0 11.2 1.0

K.Tan, H.Li, R.Jedrzejczak, A.Joachimiak. The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Isoleucine. To Be Published.