Magnesium in PDB 8zn8: Mjf-3C-Cds Qds

All present enzymatic activity of Mjf-3C-Cds Qds:
1.16.3.1;

The structure of Mjf-3C-Cds Qds, PDB code: 8zn8 was solved by M.P.Duan, T.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.81 / 2.25
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	126.748, 126.748, 177.949, 90, 90, 90
R / Rfree (%)	16.6 / 20.7

The structure of Mjf-3C-Cds Qds also contains other interesting chemical elements:

Cadmium

(Cd)

24 atoms

The binding sites of Magnesium atom in the Mjf-3C-Cds Qds (pdb code 8zn8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Mjf-3C-Cds Qds, PDB code: 8zn8:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Mjf-3C-Cds Qds


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mjf-3C-Cds Qds within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg211 b:50.2 occ:1.00 N A:GLU11 3.1 45.1 1.0 CD2 A:HIS10 3.3 54.5 1.0 CG A:HIS10 3.4 57.4 1.0 CA A:HIS10 3.6 41.2 1.0 NE2 A:HIS10 3.6 54.3 1.0 ND1 A:HIS10 3.7 57.9 1.0 C A:HIS10 3.8 43.9 1.0 CE1 A:HIS10 3.8 54.1 1.0 CB A:GLU11 3.9 49.7 1.0 CB A:HIS10 4.0 44.3 1.0 CA A:GLU11 4.1 44.5 1.0 OE1 A:GLU11 4.3 81.7 1.0 CG A:GLU11 4.5 60.4 1.0 O A:TYR9 4.6 32.8 1.0 N A:HIS10 4.8 40.8 1.0 CD A:GLU11 4.8 77.3 1.0

Magnesium binding site 2 out of 6 in the Mjf-3C-Cds Qds


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mjf-3C-Cds Qds within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg211 b:50.5 occ:1.00 N C:GLU11 3.1 42.9 1.0 CG C:HIS10 3.6 52.9 1.0 CA C:HIS10 3.7 41.3 1.0 CD2 C:HIS10 3.7 49.5 1.0 ND1 C:HIS10 3.8 52.7 1.0 NE2 C:HIS10 3.9 52.4 1.0 C C:HIS10 3.9 39.2 1.0 CB C:GLU11 3.9 50.5 1.0 CE1 C:HIS10 3.9 52.6 1.0 CG C:GLU11 3.9 65.6 1.0 CA C:GLU11 4.1 45.3 1.0 CB C:HIS10 4.2 38.8 1.0 O C:TYR9 4.4 33.9 1.0 O C:HOH379 4.5 51.7 1.0 N C:HIS10 4.8 36.2 1.0

Magnesium binding site 3 out of 6 in the Mjf-3C-Cds Qds


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Mjf-3C-Cds Qds within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg212 b:28.2 occ:0.50 N D:ALA84 3.2 27.5 1.0 O D:HOH368 3.2 47.1 1.0 O B:HOH301 3.3 33.5 0.5 CB D:ALA84 3.8 26.2 1.0 CA D:ALA83 3.9 29.6 1.0 CB B:GLN81 3.9 30.3 0.4 C D:ALA83 4.0 27.1 1.0 CB D:ALA83 4.1 23.5 1.0 CA D:ALA84 4.1 27.7 1.0 CB B:GLN81 4.1 30.3 0.6 OE1 B:GLN81 4.5 29.0 0.4 CA B:GLN81 4.6 30.2 0.4 O D:ALA84 4.6 30.2 1.0 CA B:GLN81 4.6 30.2 0.6 N B:GLN81 4.6 29.9 0.6 N B:GLN81 4.6 30.4 0.4 CG B:GLN81 4.7 30.5 0.6 C D:ALA84 4.9 28.5 1.0 CD B:GLN81 4.9 31.9 0.4 CG B:GLN81 4.9 30.1 0.4

Magnesium binding site 4 out of 6 in the Mjf-3C-Cds Qds


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Mjf-3C-Cds Qds within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg213 b:50.7 occ:1.00 N D:GLU11 3.0 42.0 1.0 CG D:GLU11 3.1 60.8 1.0 CA D:HIS10 3.6 40.9 1.0 CB D:GLU11 3.7 48.7 1.0 ND1 D:HIS10 3.8 53.2 1.0 C D:HIS10 3.8 42.5 1.0 CG D:HIS10 3.8 53.4 1.0 CA D:GLU11 3.9 47.0 1.0 CE1 D:HIS10 4.0 53.3 1.0 CD2 D:HIS10 4.1 50.4 1.0 CD D:GLU11 4.2 68.9 1.0 NE2 D:HIS10 4.2 59.0 1.0 CB D:HIS10 4.3 44.5 1.0 O D:TYR9 4.4 38.9 1.0 OE2 D:GLU11 4.7 68.2 1.0 N D:HIS10 4.7 38.7 1.0 C D:TYR9 5.0 36.8 1.0 OE1 D:GLU11 5.0 63.8 1.0 O D:HIS10 5.0 40.3 1.0

Magnesium binding site 5 out of 6 in the Mjf-3C-Cds Qds


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Mjf-3C-Cds Qds within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg211 b:50.3 occ:1.00 N E:GLU11 3.0 38.5 1.0 CG E:GLU11 3.2 56.6 1.0 CA E:HIS10 3.7 39.5 1.0 CD2 E:HIS10 3.7 54.1 1.0 CG E:HIS10 3.7 53.0 1.0 CB E:GLU11 3.8 45.5 1.0 C E:HIS10 3.8 38.0 1.0 NE2 E:HIS10 4.0 55.1 1.0 CA E:GLU11 4.0 42.3 1.0 ND1 E:HIS10 4.0 50.1 1.0 CE1 E:HIS10 4.1 52.5 1.0 CB E:HIS10 4.3 41.2 1.0 CD E:GLU11 4.3 68.6 1.0 O E:TYR9 4.6 33.9 1.0 OE1 E:GLU11 4.7 68.3 1.0 N E:HIS10 4.8 35.0 1.0 NH2 E:ARG6 5.0 41.3 1.0

Magnesium binding site 6 out of 6 in the Mjf-3C-Cds Qds


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Mjf-3C-Cds Qds within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg210 b:35.5 occ:1.00 N F:TYR9 3.1 30.8 1.0 O F:TYR9 3.2 35.2 1.0 N F:ASN8 3.4 35.5 1.0 NE F:ARG6 3.7 41.1 1.0 CG F:ARG6 3.7 37.2 1.0 C F:TYR9 3.8 34.1 1.0 CD F:ARG6 3.8 39.5 1.0 CA F:TYR9 3.9 32.3 1.0 C F:GLN7 4.0 32.8 1.0 C F:ASN8 4.0 33.4 1.0 CA F:ASN8 4.0 35.5 1.0 O F:HOH347 4.1 35.6 1.0 CA F:GLN7 4.1 35.7 1.0 N F:GLN7 4.2 32.0 1.0 CB F:TYR9 4.2 31.1 1.0 C F:ARG6 4.5 36.6 1.0 CB F:ARG6 4.7 34.4 1.0 O F:ARG6 4.7 35.2 1.0 O F:GLN7 4.8 33.2 1.0 N F:HIS10 4.9 34.9 1.0 CZ F:ARG6 4.9 40.7 1.0

M.P.Duan, T.Zhang. Construction of An Artificial Photosynthesis System By Incorporation of Cds Quantum Dots Into the Intrasubunit Interface of A Four-Helix-Bundle-Structure Enzyme To Be Published.