Magnesium in PDB 2oem: Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and 2,3-Diketohexane 1-Phosphate

The structure of Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and 2,3-Diketohexane 1-Phosphate, PDB code: 2oem was solved by A.A.Fedorov, H.J.Imker, E.V.Fedorov, J.A.Gerlt, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.86 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.354, 59.806, 109.348, 90.00, 103.54, 90.00
R / Rfree (%)	19.1 / 20.9

The binding sites of Magnesium atom in the Crystal Structure of A Rubisco-Like Protein From Geobacillus Kaustophilus Liganded with MG2+ and 2,3-Diketohexane 1-Phosphate (pdb code 2oem). 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 2,3-Diketohexane 1-Phosphate, PDB code: 2oem:
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 2,3-Diketohexane 1-Phosphate


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 2,3-Diketohexane 1-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg911 b:26.1 occ:1.00 O5 A:1AE901 2.0 23.1 1.0 OE1 A:GLU176 2.1 15.9 1.0 OQ2 A:KCX173 2.1 22.2 1.0 O4 A:1AE901 2.2 28.4 1.0 O A:HOH1189 2.3 27.9 1.0 OD1 A:ASP175 2.3 27.2 1.0 C5 A:1AE901 2.7 24.5 1.0 C4 A:1AE901 2.8 26.7 1.0 CX A:KCX173 3.1 20.6 1.0 CD A:GLU176 3.1 18.5 1.0 OQ1 A:KCX173 3.4 25.0 1.0 OE2 A:GLU176 3.5 19.3 1.0 CG A:ASP175 3.6 23.8 1.0 NE2 A:HIS264 3.8 12.2 1.0 N A:GLU176 4.0 13.5 1.0 NZ A:LYS147 4.2 34.2 1.0 C6 A:1AE901 4.2 23.6 1.0 NZ A:KCX173 4.3 18.8 1.0 OD2 A:ASP175 4.3 26.7 1.0 C3 A:1AE901 4.3 27.5 1.0 CG A:GLU176 4.5 15.3 1.0 O A:HOH1191 4.5 29.5 1.0 CA A:ASP175 4.5 14.1 1.0 O A:HOH1116 4.5 34.2 1.0 CG2 A:ILE145 4.6 16.7 1.0 CE1 A:HIS264 4.6 11.5 1.0 CB A:ASP175 4.7 18.2 1.0 CD B:LYS98 4.7 25.0 1.0 CD2 A:HIS264 4.7 11.9 1.0 CB A:GLU176 4.7 14.8 1.0 CD1 A:ILE145 4.8 15.0 1.0 C A:ASP175 4.8 12.9 1.0 O7 A:1AE901 4.9 20.5 1.0 NZ B:LYS98 5.0 32.3 1.0 CA A:GLU176 5.0 13.3 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 2,3-Diketohexane 1-Phosphate


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 2,3-Diketohexane 1-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg912 b:24.4 occ:1.00 O B:HOH1233 2.0 32.7 1.0 OQ2 B:KCX173 2.0 19.6 1.0 OE1 B:GLU176 2.1 16.8 1.0 OD1 B:ASP175 2.1 18.0 1.0 O B:HOH1225 2.1 36.3 1.0 O B:HOH1003 2.1 19.9 1.0 CD B:GLU176 3.0 18.1 1.0 CX B:KCX173 3.1 18.3 1.0 CG B:ASP175 3.2 19.5 1.0 OE2 B:GLU176 3.3 22.7 1.0 OQ1 B:KCX173 3.4 19.3 1.0 N B:GLU176 3.7 12.5 1.0 OD2 B:ASP175 3.9 20.2 1.0 O B:HOH1099 3.9 25.9 1.0 CA B:ASP175 4.1 14.1 1.0 NZ B:KCX173 4.2 17.9 1.0 CB B:ASP175 4.2 14.6 1.0 CG B:GLU176 4.3 16.0 1.0 C B:ASP175 4.4 12.6 1.0 NE2 B:HIS264 4.5 12.0 1.0 O B:HOH1234 4.5 30.4 1.0 CB B:GLU176 4.6 13.2 1.0 C6 B:1AE902 4.6 26.6 1.0 CG2 B:ILE145 4.7 12.6 1.0 CA B:GLU176 4.7 12.4 1.0 O B:HOH1042 4.8 22.7 1.0 CD1 B:ILE145 4.8 17.2 1.0 CD A:LYS98 4.9 22.0 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