Magnesium in PDB 5sjh: Crystal Structure of Human Phosphodiesterase 10

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10:
3.1.4.17;

The structure of Crystal Structure of Human Phosphodiesterase 10, PDB code: 5sjh was solved by C.Joseph, J.Benz, A.Flohr, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.72 / 2.10
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	136.308, 136.308, 235.947, 90, 90, 120
R / Rfree (%)	17.7 / 20.4

The structure of Crystal Structure of Human Phosphodiesterase 10 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 10 (pdb code 5sjh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Human Phosphodiesterase 10, PDB code: 5sjh:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10


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 Human Phosphodiesterase 10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:30.9 occ:1.00 O A:HOH1040 1.9 29.5 1.0 O A:HOH946 2.0 24.1 1.0 O A:HOH954 2.1 29.6 1.0 OD1 A:ASP564 2.1 26.3 1.0 O A:HOH956 2.1 25.8 1.0 O A:HOH925 2.2 22.7 1.0 CG A:ASP564 3.2 28.7 1.0 OD2 A:ASP564 3.5 31.6 1.0 ZN A:ZN801 3.9 33.5 1.0 NE2 A:HIS595 3.9 25.6 1.0 O A:HOH1003 4.0 48.3 1.0 OE2 A:GLU592 4.0 39.5 1.0 CD2 A:HIS567 4.0 30.6 1.0 NE2 A:HIS567 4.2 32.0 1.0 O A:HOH959 4.3 41.7 1.0 CD2 A:HIS595 4.3 25.4 1.0 OG1 A:THR633 4.3 30.2 1.0 O A:HIS563 4.4 24.8 1.0 CD2 A:HIS563 4.4 24.8 1.0 CB A:ASP564 4.5 25.8 1.0 O A:THR633 4.6 31.1 1.0 OD2 A:ASP674 4.6 33.7 1.0 CD2 A:HIS525 4.6 32.1 1.0 NE2 A:HIS525 4.8 33.8 1.0 CA A:ASP564 4.8 25.1 1.0 NE2 A:HIS563 4.8 25.4 1.0 CB A:THR633 4.8 29.6 1.0 CD A:GLU592 4.8 36.6 1.0 CG A:GLU592 4.9 29.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10


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 Human Phosphodiesterase 10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:30.3 occ:1.00 O B:HOH976 1.9 26.6 1.0 O B:HOH939 2.0 27.0 1.0 O B:HOH1038 2.1 25.8 1.0 O B:HOH944 2.1 22.1 1.0 O B:HOH906 2.2 24.7 1.0 OD1 B:ASP564 2.2 26.4 1.0 CG B:ASP564 3.2 26.4 1.0 OD2 B:ASP564 3.5 28.6 1.0 ZN B:ZN801 3.9 31.5 1.0 OE2 B:GLU592 4.0 33.9 1.0 NE2 B:HIS595 4.0 29.1 1.0 CD2 B:HIS567 4.2 29.5 1.0 O B:HOH996 4.2 41.9 1.0 OG1 B:THR633 4.2 26.5 1.0 NE2 B:HIS567 4.3 30.6 1.0 CD2 B:HIS563 4.3 22.7 1.0 CD2 B:HIS595 4.4 28.4 1.0 O B:HIS563 4.4 25.1 1.0 OD2 B:ASP674 4.5 29.4 1.0 O B:HOH967 4.5 61.8 1.0 O B:THR633 4.5 27.1 1.0 CB B:ASP564 4.5 23.8 1.0 O B:HOH1022 4.6 43.1 1.0 CD2 B:HIS525 4.7 29.4 1.0 NE2 B:HIS563 4.7 24.0 1.0 CB B:THR633 4.7 25.6 1.0 CD B:GLU592 4.8 31.2 1.0 CG B:GLU592 4.8 28.1 1.0 CA B:ASP564 4.8 23.7 1.0 NE2 B:HIS525 4.9 30.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg802 b:27.7 occ:1.00 O C:HOH960 2.1 25.9 1.0 O C:HOH946 2.1 28.6 1.0 O C:HOH967 2.1 34.6 1.0 O C:HOH1034 2.1 26.4 1.0 O C:HOH920 2.2 24.0 1.0 OD1 C:ASP564 2.2 23.3 1.0 CG C:ASP564 3.2 24.8 1.0 OD2 C:ASP564 3.6 26.5 1.0 ZN C:ZN801 3.8 31.4 1.0 O C:HOH998 4.0 42.7 1.0 OE2 C:GLU592 4.0 34.6 1.0 NE2 C:HIS595 4.1 26.6 1.0 O C:HOH968 4.1 44.6 1.0 CD2 C:HIS567 4.2 29.0 1.0 OG1 C:THR633 4.2 27.6 1.0 CD2 C:HIS563 4.3 23.6 1.0 NE2 C:HIS567 4.3 29.8 1.0 CD2 C:HIS595 4.4 25.5 1.0 O C:HIS563 4.4 25.1 1.0 O C:THR633 4.4 26.6 1.0 OD2 C:ASP674 4.5 27.0 1.0 CB C:ASP564 4.6 22.8 1.0 CB C:THR633 4.7 27.6 1.0 CD2 C:HIS525 4.7 30.7 1.0 NE2 C:HIS563 4.7 25.2 1.0 CD C:GLU592 4.8 32.0 1.0 CG C:GLU592 4.8 29.2 1.0 NE2 C:HIS525 4.9 31.9 1.0 CA C:ASP564 4.9 22.9 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Human Phosphodiesterase 10 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg802 b:37.0 occ:1.00 O D:HOH912 1.9 33.7 1.0 O D:HOH957 2.0 31.7 1.0 O D:HOH997 2.1 36.7 1.0 OD1 D:ASP564 2.1 33.5 1.0 O D:HOH921 2.2 34.5 1.0 O D:HOH956 2.2 32.2 1.0 CG D:ASP564 3.2 33.7 1.0 OD2 D:ASP564 3.6 37.5 1.0 ZN D:ZN801 3.9 38.4 1.0 NE2 D:HIS595 3.9 35.0 1.0 OE2 D:GLU592 4.0 39.5 1.0 O D:HOH947 4.1 52.6 1.0 OG1 D:THR633 4.1 36.2 1.0 O D:HOH965 4.2 46.9 1.0 O D:HIS563 4.2 30.7 1.0 CD2 D:HIS567 4.2 38.7 1.0 CD2 D:HIS595 4.2 34.2 1.0 CD2 D:HIS563 4.2 28.4 1.0 NE2 D:HIS567 4.4 39.5 1.0 CB D:ASP564 4.5 29.7 1.0 O D:THR633 4.5 36.3 1.0 OD2 D:ASP674 4.5 37.9 1.0 CB D:THR633 4.7 35.2 1.0 NE2 D:HIS563 4.7 28.3 1.0 CA D:ASP564 4.7 29.0 1.0 CG D:GLU592 4.8 37.8 1.0 CD2 D:HIS525 4.8 42.1 1.0 CD D:GLU592 4.8 39.5 1.0 O D:HOH1000 5.0 44.3 1.0 NE2 D:HIS525 5.0 43.4 1.0 C D:HIS563 5.0 30.2 1.0

A.Flohr, D.Schlatter, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human Phosphodiesterase 10 Complex To Be Published.