Magnesium 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:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium 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 Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg503 b:10.6 occ:0.92 O A:ILE388 2.3 12.8 1.0 O A:VAL166 2.3 10.0 1.0 O A:GLY163 2.3 12.4 1.0 O A:HOH641 2.3 13.2 1.0 O A:PRO160 2.4 11.6 1.0 C A:ILE388 3.2 12.5 1.0 C A:PRO160 3.4 11.3 1.0 C A:VAL166 3.4 9.2 1.0 C A:GLY163 3.5 11.9 1.0 CA A:PRO160 3.7 11.9 1.0 N A:VAL166 3.8 9.3 1.0 CA A:VAL166 4.0 9.7 1.0 CB A:PRO160 4.1 13.8 1.0 CA A:ILE388 4.1 14.2 1.0 N A:GLY389 4.1 12.1 1.0 CA A:GLY389 4.1 11.9 1.0 CB A:VAL166 4.1 10.5 1.0 CA A:ASP164 4.3 12.2 1.0 N A:ASP164 4.3 11.3 1.0 CB A:ILE388 4.4 17.6 1.0 N A:GLY163 4.4 11.8 1.0 C A:ASP164 4.4 11.0 1.0 O A:HOH646 4.4 16.3 1.0 O A:HOH667 4.5 13.0 1.0 N A:ALA167 4.5 9.3 1.0 CA A:GLY163 4.5 12.7 1.0 N A:GLU161 4.5 11.9 1.0 N A:TYR165 4.7 9.9 1.0 O A:ASP164 4.8 11.9 1.0 C A:GLY389 4.9 11.0 1.0 CA A:ALA167 4.9 9.8 1.0 CG1 A:VAL166 4.9 11.2 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg503 b:12.2 occ:0.93 O B:ILE388 2.3 14.8 1.0 O B:GLY163 2.3 13.2 1.0 O B:VAL166 2.3 11.3 1.0 O B:HOH717 2.3 23.1 1.0 O B:PRO160 2.4 12.3 1.0 C B:ILE388 3.3 14.0 1.0 C B:PRO160 3.4 12.5 1.0 C B:VAL166 3.4 10.4 1.0 C B:GLY163 3.5 12.7 1.0 O B:HOH1030 3.6 32.4 0.8 CA B:PRO160 3.7 12.4 1.0 N B:VAL166 3.8 10.5 1.0 CA B:VAL166 4.0 10.7 1.0 O B:HOH956 4.0 25.6 0.8 CA B:GLY389 4.0 12.7 1.0 N B:GLY389 4.1 13.3 1.0 CB B:PRO160 4.1 14.5 1.0 CB B:VAL166 4.1 11.5 1.0 O B:HOH945 4.2 39.6 0.9 CA B:ILE388 4.2 15.0 1.0 CA B:ASP164 4.3 13.4 1.0 N B:ASP164 4.3 12.3 1.0 N B:GLY163 4.3 12.7 1.0 C B:ASP164 4.4 13.0 1.0 CG1 B:ILE388 4.4 18.5 1.0 CA B:GLY163 4.5 13.7 1.0 N B:ALA167 4.5 10.7 1.0 O B:HOH892 4.5 19.5 0.9 N B:GLU161 4.6 12.9 1.0 N B:TYR165 4.7 11.4 1.0 O B:ASP164 4.7 15.4 1.0 CA B:ALA167 4.9 10.9 1.0 CB B:ILE388 4.9 16.6 1.0 C B:GLY389 4.9 11.7 1.0 CG1 B:VAL166 5.0 12.4 1.0 C B:TYR165 5.0 11.0 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.