Magnesium in PDB 2oel: Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and HCO3- Ions

The structure of Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and HCO3- Ions, PDB code: 2oel was solved by A.A.Fedorov, H.J.Imker, E.V.Fedorov, S.C.Almo, J.A.Gerlt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.83 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.700, 59.014, 109.476, 90.00, 103.28, 90.00
R / Rfree (%)	19.6 / 22

The binding sites of Magnesium atom in the Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and HCO3- Ions (pdb code 2oel). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and HCO3- Ions, PDB code: 2oel:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and HCO3- Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and HCO3- Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:19.2 occ:1.00 O A:HOH940 2.2 13.9 1.0 OQ2 A:KCX173 2.2 11.8 1.0 OD1 A:ASP175 2.2 15.1 1.0 OE1 A:GLU176 2.2 12.4 1.0 O A:HOH974 2.3 13.6 1.0 O A:HOH939 2.3 19.1 1.0 CD A:GLU176 3.1 14.3 1.0 CX A:KCX173 3.2 11.3 1.0 CG A:ASP175 3.2 14.9 1.0 OE2 A:GLU176 3.4 14.8 1.0 OQ1 A:KCX173 3.5 14.3 1.0 O A:HOH987 3.8 18.9 1.0 N A:GLU176 3.8 12.4 1.0 OD2 A:ASP175 3.8 17.9 1.0 O B:HOH1189 4.0 38.4 1.0 CA A:ASP175 4.2 14.1 1.0 CB A:ASP175 4.3 15.5 1.0 NZ A:KCX173 4.4 14.4 1.0 O A:HOH1056 4.4 25.0 1.0 C A:ASP175 4.5 12.6 1.0 CG A:GLU176 4.5 13.9 1.0 O A:HOH932 4.7 15.2 1.0 NE2 A:HIS264 4.7 9.3 1.0 CB A:GLU176 4.7 11.4 1.0 CD B:LYS98 4.7 20.2 1.0 CD1 A:ILE145 4.8 15.9 1.0 CG2 A:ILE145 4.8 16.8 1.0 CA A:GLU176 4.8 11.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and HCO3- Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and HCO3- Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg902 b:13.9 occ:1.00 OE1 B:GLU176 2.2 10.1 1.0 OQ2 B:KCX173 2.2 10.5 1.0 O B:HOH957 2.2 11.7 1.0 OD1 B:ASP175 2.2 9.4 1.0 O B:HOH944 2.3 12.3 1.0 O B:HOH919 2.3 11.6 1.0 CD B:GLU176 3.1 10.6 1.0 CX B:KCX173 3.2 10.6 1.0 CG B:ASP175 3.3 12.0 1.0 OE2 B:GLU176 3.4 11.0 1.0 OQ1 B:KCX173 3.4 9.5 1.0 O B:HOH971 3.8 15.6 1.0 N B:GLU176 3.9 11.3 1.0 OD2 B:ASP175 3.9 12.7 1.0 O A:HOH1100 4.0 23.1 1.0 O B:HOH1168 4.2 30.7 1.0 CA B:ASP175 4.3 11.4 1.0 NZ B:KCX173 4.3 8.6 1.0 CB B:ASP175 4.4 11.4 1.0 CG B:GLU176 4.4 10.0 1.0 O B:HOH961 4.5 16.9 1.0 O B:HOH981 4.5 14.3 1.0 C B:ASP175 4.5 10.9 1.0 NE2 B:HIS264 4.6 7.1 1.0 CD1 B:ILE145 4.7 9.6 1.0 CB B:GLU176 4.7 8.9 1.0 CD A:LYS98 4.8 14.4 1.0 CG2 B:ILE145 4.8 9.0 1.0 CA B:GLU176 4.9 10.3 1.0

H.J.Imker, A.A.Fedorov, E.V.Fedorov, S.C.Almo, J.A.Gerlt. Mechanistic Diversity in the Rubisco Superfamily: the "Enolase" in the Methionine Salvage Pathway in Geobacillus Kaustophilus. Biochemistry V. 46 4077 2007.
ISSN: ISSN 0006-2960
PubMed: 17352497
DOI: 10.1021/BI7000483