Magnesium in PDB 8zag: Crystal Structure of SKABA3 From Shimazuella Kribbensis in Complex with Ppi

The structure of Crystal Structure of SKABA3 From Shimazuella Kribbensis in Complex with Ppi, PDB code: 8zag was solved by S.Y.Li, H.Li, Y.Yang, J.-W.Huang, C.-C.Chen, R.-T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.28 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.249, 64.607, 70.955, 90, 108.93, 90
R / Rfree (%)	18.1 / 22.4

The structure of Crystal Structure of SKABA3 From Shimazuella Kribbensis in Complex with Ppi also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of SKABA3 From Shimazuella Kribbensis in Complex with Ppi (pdb code 8zag). 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 SKABA3 From Shimazuella Kribbensis in Complex with Ppi, PDB code: 8zag:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of SKABA3 From Shimazuella Kribbensis in Complex with Ppi


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 SKABA3 From Shimazuella Kribbensis in Complex with Ppi within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:16.9 occ:1.00 OE1 A:GLU80 1.8 25.5 1.0 O A:HOH549 1.9 19.2 1.0 O A:HOH562 2.0 17.2 1.0 O4 A:POP403 2.0 21.5 1.0 O1 A:POP403 2.1 21.6 1.0 O A:HOH560 2.4 12.7 1.0 CD A:GLU80 2.8 24.1 1.0 MG A:MG404 3.2 17.8 1.0 P1 A:POP403 3.2 22.4 1.0 P2 A:POP403 3.2 19.3 1.0 OE2 A:GLU80 3.3 24.4 1.0 O A:POP403 3.5 19.8 1.0 NZ A:LYS207 3.6 24.9 1.0 O3 A:POP403 3.7 17.8 1.0 O6 A:POP403 3.8 21.0 1.0 CG A:GLU80 3.9 26.1 1.0 NH2 A:ARG271 4.0 16.6 1.0 O A:HOH538 4.1 19.1 1.0 O A:HOH643 4.1 19.8 1.0 OE1 A:GLU213 4.1 23.4 1.0 OE1 A:GLU211 4.2 26.5 1.0 O A:HOH681 4.2 14.0 1.0 O A:HOH665 4.3 26.1 1.0 OE2 A:GLU211 4.3 26.1 1.0 O A:HOH509 4.5 24.7 1.0 O5 A:POP403 4.5 22.9 1.0 O2 A:POP403 4.5 20.6 1.0 O A:HOH536 4.6 30.2 1.0 CD A:GLU211 4.7 28.3 1.0 O A:HOH529 4.8 20.5 1.0 NE2 A:HIS208 4.8 16.5 1.0 CE A:LYS207 5.0 24.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of SKABA3 From Shimazuella Kribbensis in Complex with Ppi


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 SKABA3 From Shimazuella Kribbensis in Complex with Ppi within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:17.8 occ:1.00 O A:HOH560 1.8 12.7 1.0 O A:HOH509 1.9 24.7 1.0 O A:HOH529 2.0 20.5 1.0 O A:HOH538 2.0 19.1 1.0 O1 A:POP403 2.1 21.6 1.0 OE2 A:GLU80 2.4 24.4 1.0 MG A:MG402 3.2 16.9 1.0 CD A:GLU80 3.2 24.1 1.0 P1 A:POP403 3.4 22.4 1.0 OE1 A:GLU80 3.4 25.5 1.0 OD1 A:ASP164 3.5 14.7 1.0 OD2 A:ASP164 3.6 13.2 1.0 O2 A:POP403 3.7 20.6 1.0 CG A:ASP164 3.8 11.5 1.0 O A:HOH780 4.0 27.6 1.0 NH1 A:ARG161 4.1 16.7 1.0 O A:HOH681 4.1 14.0 1.0 NZ A:LYS134 4.1 28.4 1.0 O3 A:POP403 4.2 17.8 1.0 O A:ASP164 4.2 10.7 1.0 O A:HOH562 4.2 17.2 1.0 O A:HOH643 4.2 19.8 1.0 CE A:MET131 4.3 14.8 1.0 OE1 A:GLU213 4.4 23.4 1.0 O A:POP403 4.6 19.8 1.0 CG A:GLU80 4.6 26.1 1.0 O A:HOH549 4.7 19.2 1.0 O4 A:POP403 4.7 21.5 1.0 CG A:MET131 4.8 13.6 1.0 C A:ASP164 4.9 10.2 1.0

S.Y.Li, H.Li, Y.Yang, J.-W.Huang, C.-C.Chen, R.-T.Guo. Crystal Structure of SKABA3 From Shimazuella Kribbensis in Complex with Ppi To Be Published.