Magnesium in PDB 2oup: Crystal Structure of PDE10A

All present enzymatic activity of Crystal Structure of PDE10A:
3.1.4.17;

The structure of Crystal Structure of PDE10A, PDB code: 2oup was solved by H.C.Wang, Y.D.Liu, J.Hou, M.Y.Zheng, H.Robinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.076, 82.036, 155.386, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22.3

The structure of Crystal Structure of PDE10A also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of PDE10A (pdb code 2oup). 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 PDE10A, PDB code: 2oup:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of PDE10A


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 PDE10A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg778 b:13.4 occ:1.00 OD1 A:ASP564 2.1 12.4 1.0 O A:HOH6 2.1 13.9 1.0 O A:HOH1 2.1 13.9 1.0 O A:HOH7 2.2 13.4 1.0 O A:HOH5 2.2 12.1 1.0 O A:HOH4 2.2 13.9 1.0 CG A:ASP564 3.0 12.7 1.0 OD2 A:ASP564 3.3 13.3 1.0 ZN A:ZN777 3.7 16.2 1.0 OE2 A:GLU592 4.0 16.0 1.0 NE2 A:HIS595 4.1 12.6 1.0 O A:HOH285 4.2 31.2 1.0 CD2 A:HIS563 4.2 12.6 1.0 OG1 A:THR633 4.2 12.6 1.0 O A:HOH2 4.3 24.5 1.0 O A:HIS563 4.3 12.8 1.0 CD2 A:HIS595 4.4 13.2 1.0 CD2 A:HIS525 4.4 15.6 1.0 O A:HOH74 4.4 18.4 1.0 CB A:ASP564 4.4 13.0 1.0 OD2 A:ASP674 4.4 18.0 1.0 CD2 A:HIS567 4.5 15.7 1.0 NE2 A:HIS525 4.5 16.5 1.0 NE2 A:HIS563 4.5 13.2 1.0 O A:THR633 4.6 13.0 1.0 CB A:THR633 4.7 13.1 1.0 CA A:ASP564 4.7 13.0 1.0 NE2 A:HIS567 4.8 14.6 1.0 CG A:GLU592 4.8 15.1 1.0 CD A:GLU592 4.9 15.5 1.0 OD1 A:ASP674 5.0 14.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of PDE10A


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 PDE10A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg778 b:17.7 occ:1.00 OD1 B:ASP564 2.1 17.1 1.0 O B:HOH11 2.1 17.3 1.0 O B:HOH14 2.2 19.6 1.0 O B:HOH15 2.2 18.1 1.0 O B:HOH13 2.2 20.1 1.0 O B:HOH16 2.3 18.4 1.0 CG B:ASP564 3.1 17.2 1.0 OD2 B:ASP564 3.4 18.9 1.0 ZN B:ZN777 3.8 26.4 1.0 OE2 B:GLU592 4.0 20.2 1.0 NE2 B:HIS595 4.1 16.9 1.0 O B:HOH23 4.1 40.7 1.0 O B:HOH12 4.1 30.8 1.0 OG1 B:THR633 4.1 17.9 1.0 CD2 B:HIS563 4.2 16.2 1.0 O B:HOH98 4.2 24.7 1.0 CD2 B:HIS567 4.3 19.7 1.0 O B:HIS563 4.3 15.7 1.0 CD2 B:HIS595 4.4 17.4 1.0 CD2 B:HIS525 4.4 26.6 1.0 CB B:ASP564 4.5 16.5 1.0 NE2 B:HIS567 4.5 19.4 1.0 O B:THR633 4.5 18.7 1.0 NE2 B:HIS563 4.6 18.1 1.0 OD2 B:ASP674 4.6 20.5 1.0 CB B:THR633 4.6 18.7 1.0 CA B:ASP564 4.8 16.7 1.0 CD B:GLU592 4.9 21.0 1.0 CG B:GLU592 4.9 20.3 1.0 NE2 B:HIS525 4.9 27.4 1.0

H.Wang, Y.Liu, J.Hou, M.Zheng, H.Robinson, H.Ke. From the Cover: Structural Insight Into Substrate Specificity of Phosphodiesterase 10. Proc.Natl.Acad.Sci.Usa V. 104 5782 2007.
ISSN: ISSN 0027-8424
PubMed: 17389385
DOI: 10.1073/PNAS.0700279104