Magnesium in PDB 5h68: Crystal Structure of An Engaged Dimer of the Geobacillus Stearothermophilus Smc Head Domain

The structure of Crystal Structure of An Engaged Dimer of the Geobacillus Stearothermophilus Smc Head Domain, PDB code: 5h68 was solved by K.Kamada, T.Hirano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.91 / 1.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.339, 65.835, 77.923, 90.00, 108.11, 90.00
R / Rfree (%)	18.9 / 23.2

The binding sites of Magnesium atom in the Crystal Structure of An Engaged Dimer of the Geobacillus Stearothermophilus Smc Head Domain (pdb code 5h68). 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 An Engaged Dimer of the Geobacillus Stearothermophilus Smc Head Domain, PDB code: 5h68:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of An Engaged Dimer of the Geobacillus Stearothermophilus Smc Head Domain


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 An Engaged Dimer of the Geobacillus Stearothermophilus Smc Head Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:15.0 occ:1.00 O2G A:AGS701 1.9 14.5 1.0 O2B A:AGS701 2.0 17.9 1.0 OE1 A:GLN143 2.0 19.5 1.0 OG A:SER38 2.1 17.8 1.0 O A:HOH1244 2.1 14.9 1.0 O A:HOH1223 2.1 16.6 1.0 CD A:GLN143 3.1 17.1 1.0 CB A:SER38 3.1 17.2 1.0 PB A:AGS701 3.2 18.9 1.0 PG A:AGS701 3.2 17.2 1.0 NE2 A:GLN143 3.5 16.7 1.0 O3B A:AGS701 3.5 17.8 1.0 N A:SER38 4.1 18.6 1.0 O A:HOH1315 4.1 23.0 1.0 O2A A:AGS701 4.1 21.8 1.0 O3A A:AGS701 4.1 18.5 1.0 CA A:SER38 4.1 19.2 1.0 OD1 A:ASP1117 4.2 17.2 1.0 OD2 A:ASP1117 4.2 19.6 1.0 OE1 A:GLN1118 4.2 20.9 1.0 N B:GLY1091 4.3 19.7 1.0 CG A:GLN143 4.4 18.7 1.0 O3G A:AGS701 4.4 17.4 1.0 S1G A:AGS701 4.4 17.1 1.0 O1B A:AGS701 4.5 19.1 1.0 PA A:AGS701 4.6 18.5 1.0 CB A:GLN143 4.6 17.9 1.0 CG A:ASP1117 4.6 17.2 1.0 CB B:SER1090 4.6 15.7 1.0 CA B:GLY1091 5.0 19.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An Engaged Dimer of the Geobacillus Stearothermophilus Smc Head Domain


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 An Engaged Dimer of the Geobacillus Stearothermophilus Smc Head Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:17.0 occ:1.00 O2G B:AGS701 2.0 16.0 1.0 O1B B:AGS701 2.0 17.6 1.0 OE1 B:GLN143 2.1 17.9 1.0 O B:HOH1242 2.1 16.3 1.0 O B:HOH1224 2.1 17.4 1.0 OG B:SER38 2.1 18.2 1.0 CD B:GLN143 3.0 19.9 1.0 CB B:SER38 3.2 18.2 1.0 PG B:AGS701 3.2 18.4 1.0 PB B:AGS701 3.3 17.7 1.0 NE2 B:GLN143 3.5 19.3 1.0 O3B B:AGS701 3.6 18.6 1.0 N B:SER38 4.1 19.9 1.0 OE1 B:GLN1118 4.1 21.9 1.0 O B:HOH1300 4.2 22.2 1.0 CA B:SER38 4.2 20.3 1.0 O1A B:AGS701 4.2 19.5 1.0 OD1 B:ASP1117 4.2 16.8 1.0 O3A B:AGS701 4.2 19.4 1.0 OD2 B:ASP1117 4.2 20.8 1.0 N A:GLY1091 4.3 20.9 1.0 CG B:GLN143 4.3 19.7 1.0 S1G B:AGS701 4.4 18.3 1.0 O3G B:AGS701 4.4 19.5 1.0 O2B B:AGS701 4.5 20.8 1.0 CB B:GLN143 4.5 19.3 1.0 PA B:AGS701 4.6 20.1 1.0 CG B:ASP1117 4.6 20.0 1.0 CB A:SER1090 4.7 19.7 1.0 CD B:GLN1118 4.9 23.8 1.0 CA A:GLY1091 5.0 17.6 1.0

K.Kamada, M.Su'etsugu, H.Takada, M.Miyata, T.Hirano. Overall Shapes of the Smc-Scpab Complex Are Determined By Balance Between Constraint and Relaxation of Its Structural Parts Structure V. 25 603 2017.
ISSN: ISSN 1878-4186
PubMed: 28286005
DOI: 10.1016/J.STR.2017.02.008