Magnesium in PDB 4rv5: The Crystal Structure of A Solute-Binding Protein From Anabaena Variabilis Atcc 29413 in Complex with Pyrouvic Acid

The structure of The Crystal Structure of A Solute-Binding Protein From Anabaena Variabilis Atcc 29413 in Complex with Pyrouvic Acid, PDB code: 4rv5 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)	18.73 / 1.04
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	98.525, 100.588, 150.602, 90.00, 90.00, 90.00
R / Rfree (%)	11.2 / 13.1

The binding sites of Magnesium atom in the The Crystal Structure of A Solute-Binding Protein From Anabaena Variabilis Atcc 29413 in Complex with Pyrouvic Acid (pdb code 4rv5). 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 From Anabaena Variabilis Atcc 29413 in Complex with Pyrouvic Acid, PDB code: 4rv5:
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 From Anabaena Variabilis Atcc 29413 in Complex with Pyrouvic Acid


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 From Anabaena Variabilis Atcc 29413 in Complex with Pyrouvic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:15.2 occ:1.00 O A:ILE388 2.3 16.6 1.0 O A:VAL166 2.3 14.7 1.0 O A:GLY163 2.3 16.3 1.0 O A:HOH660 2.3 17.9 1.0 O A:PRO160 2.4 15.3 1.0 H A:VAL166 3.2 16.6 1.0 C A:ILE388 3.3 16.2 1.0 C A:PRO160 3.4 15.1 1.0 HA3 A:GLY389 3.4 18.3 1.0 C A:VAL166 3.4 13.6 1.0 HA A:PRO160 3.4 18.9 1.0 HB A:VAL166 3.5 17.4 1.0 C A:GLY163 3.5 15.8 1.0 O A:HOH884 3.6 36.5 1.0 H A:GLY163 3.6 19.1 1.0 HB3 A:PRO160 3.7 21.7 1.0 HA A:ASP164 3.8 19.7 1.0 CA A:PRO160 3.8 15.7 1.0 HB A:ILE388 3.8 24.0 1.0 N A:VAL166 3.9 13.8 1.0 HA A:ILE388 3.9 21.2 1.0 CA A:VAL166 4.0 14.2 1.0 CB A:PRO160 4.1 18.1 1.0 CA A:ILE388 4.1 17.7 1.0 HB2 A:PRO160 4.1 21.7 1.0 O A:HOH1061 4.1 33.7 1.0 N A:GLY389 4.1 15.6 1.0 CA A:GLY389 4.2 15.3 1.0 CB A:VAL166 4.2 14.5 1.0 HA A:ALA167 4.2 16.7 1.0 CA A:ASP164 4.3 16.4 1.0 N A:ASP164 4.3 16.0 1.0 O A:HOH651 4.4 20.6 1.0 N A:GLY163 4.4 15.9 1.0 C A:ASP164 4.4 15.2 1.0 CB A:ILE388 4.4 20.0 1.0 N A:ALA167 4.5 13.7 1.0 O A:HOH631 4.5 17.4 1.0 CA A:GLY163 4.5 17.2 1.0 HG12 A:VAL166 4.6 18.2 1.0 N A:GLU161 4.6 15.4 1.0 HA A:GLU161 4.7 19.5 1.0 N A:TYR165 4.7 14.5 1.0 O A:ASP164 4.8 16.2 1.0 HA2 A:GLY389 4.8 18.3 1.0 H A:TYR165 4.9 17.4 1.0 CA A:ALA167 4.9 13.9 1.0 HA A:VAL166 4.9 17.0 1.0 H A:GLY389 4.9 18.8 1.0 CG1 A:VAL166 5.0 15.2 1.0 HD21 A:LEU372 5.0 19.7 1.0 HA2 A:GLY163 5.0 20.6 1.0 HD12 A:ILE388 5.0 28.5 1.0 C A:GLY389 5.0 15.0 1.0 HG13 A:ILE388 5.0 25.1 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of A Solute-Binding Protein From Anabaena Variabilis Atcc 29413 in Complex with Pyrouvic Acid


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 From Anabaena Variabilis Atcc 29413 in Complex with Pyrouvic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:16.7 occ:1.00 O B:ILE388 2.2 19.3 1.0 O B:VAL166 2.3 15.6 1.0 O B:GLY163 2.3 16.6 1.0 O B:HOH629 2.4 25.4 1.0 O B:PRO160 2.4 16.4 1.0 H B:VAL166 3.3 17.8 1.0 HA3 B:GLY389 3.3 19.6 1.0 C B:ILE388 3.3 18.1 1.0 HA B:PRO160 3.3 20.1 1.0 C B:PRO160 3.4 16.0 1.0 C B:VAL166 3.4 14.7 1.0 HB B:VAL166 3.5 18.8 1.0 C B:GLY163 3.5 16.8 1.0 HB3 B:PRO160 3.6 21.9 1.0 H B:GLY163 3.6 19.7 1.0 O B:HOH942 3.7 27.2 1.0 CA B:PRO160 3.7 16.7 1.0 HG12 B:ILE388 3.8 25.5 1.0 HA B:ASP164 3.8 21.2 1.0 N B:VAL166 3.9 14.8 1.0 CA B:VAL166 4.0 14.9 1.0 HA B:ILE388 4.0 22.2 1.0 CB B:PRO160 4.1 18.3 1.0 O B:HOH828 4.1 26.6 1.0 CA B:GLY389 4.1 16.3 1.0 O B:HOH773 4.1 27.3 1.0 N B:GLY389 4.1 16.7 1.0 CB B:VAL166 4.2 15.7 1.0 HG13 B:ILE388 4.2 25.5 1.0 HA B:ALA167 4.2 17.8 1.0 HB2 B:PRO160 4.3 21.9 1.0 CA B:ILE388 4.3 18.5 1.0 N B:ASP164 4.3 16.9 1.0 N B:GLY163 4.4 16.4 1.0 CA B:ASP164 4.4 17.7 1.0 CG1 B:ILE388 4.4 21.2 1.0 C B:ASP164 4.5 16.9 1.0 N B:ALA167 4.5 14.7 1.0 CA B:GLY163 4.5 17.8 1.0 HG12 B:VAL166 4.5 19.6 1.0 N B:GLU161 4.6 16.4 1.0 O B:HOH692 4.7 21.4 1.0 HA2 B:GLY389 4.7 19.6 1.0 HA B:GLU161 4.8 20.5 1.0 N B:TYR165 4.8 15.7 1.0 O B:ASP164 4.8 18.4 1.0 CA B:ALA167 4.8 14.8 1.0 H B:TYR165 4.9 18.9 1.0 H B:GLY389 4.9 20.1 1.0 HA B:VAL166 4.9 17.9 1.0 C B:GLY389 4.9 15.3 1.0 CB B:ILE388 4.9 19.1 1.0 CG1 B:VAL166 5.0 16.3 1.0 HA2 B:GLY163 5.0 21.3 1.0

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