Magnesium in PDB 4qym: The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Methionine

The structure of The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Methionine, PDB code: 4qym 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)	25.63 / 1.58
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.964, 97.555, 150.151, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 21.2

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 Methionine (pdb code 4qym). 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 Methionine, PDB code: 4qym:
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 Methionine


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 Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:15.4 occ:1.00 O A:ILE388 2.2 16.6 1.0 O A:GLY163 2.3 18.3 1.0 O A:HOH601 2.3 17.6 1.0 O A:VAL166 2.3 14.6 1.0 O A:PRO160 2.4 16.8 1.0 C A:ILE388 3.2 15.7 1.0 C A:PRO160 3.4 16.1 1.0 C A:VAL166 3.4 13.5 1.0 C A:GLY163 3.5 15.2 1.0 CA A:PRO160 3.8 17.6 1.0 N A:VAL166 3.9 13.3 1.0 CA A:VAL166 4.0 13.9 1.0 O A:HOH943 4.0 49.0 1.0 CA A:ILE388 4.1 17.4 1.0 N A:GLY389 4.1 14.4 1.0 CB A:PRO160 4.1 18.6 1.0 CB A:VAL166 4.1 14.9 1.0 CA A:GLY389 4.2 14.5 1.0 CA A:ASP164 4.3 17.6 1.0 N A:ASP164 4.3 16.5 1.0 N A:GLY163 4.3 14.3 1.0 CB A:ILE388 4.4 21.2 1.0 C A:ASP164 4.4 16.5 1.0 O A:HOH647 4.4 21.6 1.0 O A:HOH651 4.5 18.3 1.0 CA A:GLY163 4.5 14.8 1.0 N A:ALA167 4.5 13.4 1.0 N A:GLU161 4.6 16.7 1.0 N A:TYR165 4.8 16.0 1.0 O A:ASP164 4.8 17.3 1.0 CA A:ALA167 4.9 13.1 1.0 C A:GLY389 4.9 15.9 1.0 CG1 A:VAL166 5.0 15.0 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 Methionine


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 Methionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:19.8 occ:1.00 O B:ILE388 2.2 21.4 1.0 O B:GLY163 2.3 17.4 1.0 O B:VAL166 2.3 15.1 1.0 O B:PRO160 2.4 18.7 1.0 O B:HOH601 2.4 26.6 1.0 C B:ILE388 3.3 20.1 1.0 C B:PRO160 3.4 17.6 1.0 C B:VAL166 3.4 14.1 1.0 C B:GLY163 3.5 15.9 1.0 CA B:PRO160 3.8 18.4 1.0 N B:VAL166 3.9 15.4 1.0 CA B:VAL166 4.0 14.6 1.0 N B:GLY389 4.1 18.1 1.0 CA B:GLY389 4.1 17.1 1.0 CB B:PRO160 4.2 20.2 1.0 CA B:ILE388 4.2 22.0 1.0 CB B:VAL166 4.2 16.1 1.0 CG1 B:ILE388 4.3 28.8 1.0 CA B:ASP164 4.3 18.6 1.0 N B:ASP164 4.3 16.9 1.0 N B:GLY163 4.3 17.0 1.0 C B:ASP164 4.4 17.9 1.0 CA B:GLY163 4.5 16.4 1.0 O B:HOH619 4.5 23.7 1.0 N B:ALA167 4.5 14.9 1.0 N B:GLU161 4.6 18.7 1.0 N B:TYR165 4.7 16.2 1.0 O B:ASP164 4.8 19.5 1.0 CB B:ILE388 4.8 24.7 1.0 CA B:ALA167 4.9 13.8 1.0 CG1 B:VAL166 5.0 18.3 1.0 C B:GLY389 5.0 17.2 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 Methionine To Be Published.