Magnesium in PDB 4obb: The Crystal Structure of A Solute-Binding Protein From Anabaena Variabilis Atcc 29413 in Complex with (3S)-3-Methyl-2-Oxopentanoic Acid.

The structure of The Crystal Structure of A Solute-Binding Protein From Anabaena Variabilis Atcc 29413 in Complex with (3S)-3-Methyl-2-Oxopentanoic Acid., PDB code: 4obb 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)	25.86 / 1.53
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	98.736, 100.814, 150.638, 90.00, 90.00, 90.00
R / Rfree (%)	13.2 / 17.8

The binding sites of Magnesium atom in the The Crystal Structure of A Solute-Binding Protein From Anabaena Variabilis Atcc 29413 in Complex with (3S)-3-Methyl-2-Oxopentanoic Acid. (pdb code 4obb). 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 (3S)-3-Methyl-2-Oxopentanoic Acid., PDB code: 4obb:
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 (3S)-3-Methyl-2-Oxopentanoic 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 (3S)-3-Methyl-2-Oxopentanoic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:10.7 occ:1.00 O A:VAL166 2.3 8.8 1.0 O A:ILE388 2.3 12.4 1.0 O A:HOH622 2.3 13.5 1.0 O A:GLY163 2.3 12.5 1.0 O A:PRO160 2.4 11.5 1.0 C A:ILE388 3.3 12.1 1.0 C A:PRO160 3.4 11.4 1.0 C A:VAL166 3.4 8.4 1.0 C A:GLY163 3.5 10.5 1.0 O A:HOH906 3.5 36.4 1.0 CA A:PRO160 3.8 11.0 1.0 N A:VAL166 3.9 9.1 1.0 CA A:VAL166 4.0 8.4 1.0 CA A:ILE388 4.1 13.5 1.0 CB A:PRO160 4.1 12.7 1.0 N A:GLY389 4.1 10.8 1.0 CA A:GLY389 4.2 10.6 1.0 CB A:VAL166 4.2 8.3 1.0 CA A:ASP164 4.3 11.9 1.0 N A:ASP164 4.3 10.8 1.0 CB A:ILE388 4.3 16.8 1.0 N A:GLY163 4.4 9.8 1.0 C A:ASP164 4.4 11.0 1.0 O A:HOH635 4.4 15.4 1.0 CA A:GLY163 4.5 10.6 1.0 O A:HOH626 4.5 13.2 1.0 N A:ALA167 4.5 9.1 1.0 N A:GLU161 4.6 11.3 1.0 N A:TYR165 4.7 9.6 1.0 O A:ASP164 4.7 11.9 1.0 CA A:ALA167 4.9 8.1 1.0 CG1 A:VAL166 5.0 8.9 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 (3S)-3-Methyl-2-Oxopentanoic 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 (3S)-3-Methyl-2-Oxopentanoic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:11.9 occ:1.00 O B:ILE388 2.3 12.9 1.0 O B:VAL166 2.3 9.9 1.0 O B:GLY163 2.3 11.7 1.0 O B:HOH691 2.4 20.7 1.0 O B:PRO160 2.4 10.8 1.0 C B:ILE388 3.3 12.2 1.0 C B:VAL166 3.4 8.4 1.0 C B:PRO160 3.4 9.7 1.0 C B:GLY163 3.5 11.0 1.0 O B:HOH928 3.6 24.2 1.0 CA B:PRO160 3.7 10.5 1.0 N B:VAL166 3.9 7.6 1.0 O B:HOH809 3.9 27.3 1.0 O B:HOH761 4.0 21.9 1.0 CA B:VAL166 4.0 8.0 1.0 CB B:PRO160 4.0 12.6 1.0 CA B:GLY389 4.1 11.9 1.0 N B:GLY389 4.1 9.8 1.0 CB B:VAL166 4.2 9.3 1.0 CA B:ILE388 4.3 12.9 1.0 CA B:ASP164 4.3 12.3 1.0 N B:ASP164 4.4 12.0 1.0 N B:GLY163 4.4 10.2 1.0 C B:ASP164 4.4 12.5 1.0 CG1 B:ILE388 4.4 16.7 1.0 N B:ALA167 4.5 9.0 1.0 CA B:GLY163 4.5 11.0 1.0 O B:HOH715 4.6 18.3 1.0 N B:GLU161 4.6 9.8 1.0 O B:ASP164 4.7 14.3 1.0 N B:TYR165 4.7 10.3 1.0 CA B:ALA167 4.8 9.2 1.0 C B:GLY389 4.9 10.4 1.0 CB B:ILE388 4.9 13.5 1.0 CG1 B:VAL166 5.0 9.6 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 (3S)-3-Methyl-2-Oxopentanoic Acid. To Be Published.