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

The structure of The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Alanine, PDB code: 4nqr 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)	19.37 / 1.09
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	98.673, 100.742, 150.305, 90.00, 90.00, 90.00
R / Rfree (%)	12 / 13.7

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 Alanine (pdb code 4nqr). 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 Alanine, PDB code: 4nqr:
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 Alanine


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 Alanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:7.8 occ:1.00 O A:ILE388 2.3 8.9 1.0 O A:VAL166 2.3 7.2 1.0 O A:GLY163 2.3 9.1 1.0 O A:HOH636 2.3 9.7 1.0 O A:PRO160 2.4 8.4 1.0 C A:ILE388 3.2 9.0 1.0 C A:PRO160 3.4 8.0 1.0 C A:VAL166 3.4 6.5 1.0 C A:GLY163 3.5 8.3 1.0 O A:HOH1157 3.6 36.0 1.0 CA A:PRO160 3.8 9.0 1.0 N A:VAL166 3.9 6.6 1.0 O A:HOH1156 3.9 33.0 0.9 CA A:VAL166 4.0 6.8 1.0 CA A:ILE388 4.1 10.5 1.0 CB A:PRO160 4.1 11.0 1.0 N A:GLY389 4.1 8.8 1.0 CA A:GLY389 4.1 8.7 1.0 CB A:VAL166 4.2 7.5 1.0 CA A:ASP164 4.3 9.0 1.0 N A:ASP164 4.3 8.3 1.0 N A:GLY163 4.3 8.7 1.0 CB A:ILE388 4.4 13.0 1.0 C A:ASP164 4.4 8.0 1.0 O A:HOH705 4.4 12.6 1.0 O A:HOH611 4.5 9.9 1.0 CA A:GLY163 4.5 9.7 1.0 N A:ALA167 4.5 6.6 1.0 N A:GLU161 4.6 8.4 1.0 N A:TYR165 4.7 7.2 1.0 O A:ASP164 4.7 9.1 1.0 CA A:ALA167 4.9 6.5 1.0 CG1 A:VAL166 5.0 8.1 1.0 C A:GLY389 5.0 7.8 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 Alanine


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 Alanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:8.4 occ:1.00 O B:ILE388 2.2 11.1 1.0 O B:VAL166 2.3 7.6 1.0 O B:GLY163 2.3 8.6 1.0 O B:HOH689 2.3 16.9 1.0 O B:PRO160 2.4 8.4 1.0 C B:ILE388 3.3 10.1 1.0 C B:VAL166 3.4 6.8 1.0 C B:PRO160 3.4 8.3 1.0 C B:GLY163 3.5 8.2 1.0 O A:HOH962 3.7 14.9 0.8 CA B:PRO160 3.7 9.3 1.0 N B:VAL166 3.9 7.0 1.0 O B:HOH883 4.0 15.6 0.9 CA B:VAL166 4.0 7.1 1.0 O B:HOH884 4.0 17.4 0.9 CB B:PRO160 4.0 11.2 1.0 CA B:GLY389 4.1 8.5 1.0 N B:GLY389 4.1 8.7 1.0 CB B:VAL166 4.2 8.0 1.0 CA B:ILE388 4.3 10.4 1.0 N B:ASP164 4.3 8.5 1.0 CA B:ASP164 4.3 8.9 1.0 N B:GLY163 4.3 8.7 1.0 C B:ASP164 4.4 8.3 1.0 N B:ALA167 4.5 6.7 1.0 CG1 B:ILE388 4.5 13.1 1.0 CA B:GLY163 4.5 9.5 1.0 N B:GLU161 4.6 8.2 1.0 O B:HOH710 4.6 16.2 1.0 N B:TYR165 4.8 7.5 1.0 O B:ASP164 4.8 10.3 1.0 CA B:ALA167 4.8 7.1 1.0 C B:GLY389 4.9 7.8 1.0 CB B:ILE388 4.9 11.5 1.0 CG1 B:VAL166 5.0 8.7 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 Alanine. To Be Published.