Magnesium in PDB 8xem: Crystal Structure of Apo Hepn Toxin

The structure of Crystal Structure of Apo Hepn Toxin, PDB code: 8xem was solved by C.Jin, C.Jeon, D.H.Kim, B.J.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.75 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	143.88, 53.185, 86.965, 90, 122.1, 90
R / Rfree (%)	16.7 / 20.8

The binding sites of Magnesium atom in the Crystal Structure of Apo Hepn Toxin (pdb code 8xem). 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 Apo Hepn Toxin, PDB code: 8xem:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Apo Hepn Toxin


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 Apo Hepn Toxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:30.0 occ:1.00 OE1 A:GLU47 2.1 31.6 1.0 OE1 B:GLU47 2.2 31.5 1.0 OE1 A:GLN44 2.2 29.0 1.0 OE1 B:GLN44 2.3 30.1 1.0 CD A:GLU47 3.2 30.3 1.0 HG1 A:THR101 3.2 37.3 1.0 HG1 B:THR101 3.3 36.0 1.0 CD B:GLU47 3.3 32.9 1.0 CD A:GLN44 3.4 28.2 1.0 O B:HOH206 3.5 36.3 1.0 HA A:GLN44 3.5 22.3 1.0 CD B:GLN44 3.5 28.1 1.0 O A:HOH309 3.6 31.9 1.0 HA B:GLN44 3.7 26.3 1.0 OE2 A:GLU47 3.8 33.1 1.0 OG1 B:THR101 3.8 30.0 1.0 OE2 B:GLU47 3.8 31.5 1.0 OG1 A:THR101 3.8 31.1 1.0 HB2 A:GLU47 4.0 29.6 1.0 HB2 A:GLN44 4.0 26.4 1.0 HE22 A:GLN44 4.0 28.1 1.0 HE22 B:GLN44 4.1 33.7 1.0 HB2 B:GLN44 4.2 27.0 1.0 NE2 A:GLN44 4.2 23.4 1.0 HB2 B:GLU47 4.2 28.5 1.0 NE2 B:GLN44 4.3 28.0 1.0 CG A:GLU47 4.3 23.9 1.0 CA A:GLN44 4.4 18.6 1.0 HB3 A:GLU47 4.4 29.6 1.0 CB A:GLN44 4.4 22.0 1.0 CB A:GLU47 4.4 24.6 1.0 CG A:GLN44 4.5 23.0 1.0 O A:HOH361 4.5 35.0 1.0 CG B:GLU47 4.5 22.3 1.0 CA B:GLN44 4.6 21.9 1.0 HG22 A:ILE43 4.6 26.9 1.0 HB3 B:GLU47 4.6 28.5 1.0 CB B:GLN44 4.6 22.4 1.0 CG B:GLN44 4.6 21.4 1.0 HG3 A:GLU47 4.7 28.8 1.0 CB B:GLU47 4.7 23.7 1.0 HG22 B:ILE43 4.8 25.9 1.0 HG3 B:GLU47 4.9 26.8 1.0 HG2 A:GLN44 4.9 27.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Apo Hepn Toxin


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 Apo Hepn Toxin within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:49.0 occ:1.00 OE1 C:GLU47 1.9 37.3 1.0 OE1 D:GLU47 2.2 40.0 1.0 OE2 C:GLU47 2.2 36.4 1.0 CD C:GLU47 2.3 30.6 1.0 OE1 D:GLN44 2.4 33.0 1.0 OE1 C:GLN44 2.5 31.8 1.0 CD D:GLU47 2.7 33.3 1.0 OE2 D:GLU47 2.7 41.1 1.0 HA C:GLN44 3.6 25.6 1.0 O C:HOH333 3.6 35.4 1.0 O D:HOH291 3.6 31.0 1.0 CD D:GLN44 3.6 35.8 1.0 CG C:GLU47 3.7 23.3 1.0 CD C:GLN44 3.7 28.4 1.0 HB2 C:GLU47 3.8 31.2 1.0 HA D:GLN44 3.8 23.2 1.0 CG D:GLU47 4.0 29.0 1.0 HE22 D:GLN44 4.1 34.9 1.0 HB3 C:GLU47 4.1 31.2 1.0 HB2 D:GLU47 4.1 33.0 1.0 HG3 C:GLU47 4.1 28.0 1.0 CB C:GLU47 4.1 26.0 1.0 HB2 C:GLN44 4.1 26.0 1.0 HB3 D:GLU47 4.2 33.0 1.0 O C:HOH338 4.2 30.1 1.0 HG2 C:GLU47 4.3 28.0 1.0 NE2 D:GLN44 4.3 29.1 1.0 HE22 C:GLN44 4.3 32.9 1.0 HB2 D:GLN44 4.3 28.3 1.0 CB D:GLU47 4.4 27.5 1.0 HB C:THR101 4.4 36.1 1.0 CA C:GLN44 4.4 21.3 1.0 O D:HOH211 4.5 34.1 1.0 HG3 D:GLU47 4.5 34.8 1.0 NE2 C:GLN44 4.5 27.4 1.0 CB C:GLN44 4.6 21.7 1.0 HB D:THR101 4.6 32.9 1.0 HG2 D:GLU47 4.6 34.8 1.0 OG1 C:THR101 4.7 28.1 1.0 CA D:GLN44 4.7 19.3 1.0 HG22 C:ILE43 4.7 32.4 1.0 CG C:GLN44 4.7 23.7 1.0 CG D:GLN44 4.8 27.7 1.0 CB D:GLN44 4.8 23.6 1.0 OG1 D:THR101 4.9 23.9 1.0 HG21 C:THR101 4.9 39.1 1.0

C.Jin, C.Jeon, D.H.Kim, B.J.Lee. Structural and Functional Study of Hepn-Mnt Module From Legionella Pneumophila To Be Published.