Magnesium in PDB 2ouq: Crystal Structure of PDE10A2 in Complex with Gmp

All present enzymatic activity of Crystal Structure of PDE10A2 in Complex with Gmp:
3.1.4.17;

The structure of Crystal Structure of PDE10A2 in Complex with Gmp, PDB code: 2ouq 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 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.829, 81.931, 156.703, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.9

The structure of Crystal Structure of PDE10A2 in Complex with Gmp also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of PDE10A2 in Complex with Gmp (pdb code 2ouq). 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 PDE10A2 in Complex with Gmp, PDB code: 2ouq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of PDE10A2 in Complex with Gmp


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 PDE10A2 in Complex with Gmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:20.9 occ:1.00 OD1 A:ASP564 2.1 19.1 1.0 O A:HOH1 2.2 12.5 1.0 O A:HOH2 2.3 14.2 1.0 O A:HOH3 2.3 20.5 1.0 O3P A:5GP401 2.4 28.7 1.0 O2P A:5GP401 2.5 28.8 1.0 P A:5GP401 2.9 31.0 1.0 CG A:ASP564 3.1 19.1 1.0 OD2 A:ASP564 3.5 18.9 1.0 O5' A:5GP401 3.8 29.0 1.0 ZN A:ZN402 3.9 23.2 1.0 NE2 A:HIS595 4.0 19.0 1.0 O A:HOH4 4.0 24.0 1.0 O1P A:5GP401 4.1 28.4 1.0 OE2 A:GLU592 4.1 20.9 1.0 CD2 A:HIS595 4.1 19.5 1.0 O A:HIS563 4.2 17.6 1.0 CD2 A:HIS563 4.2 17.1 1.0 OG1 A:THR633 4.3 14.7 1.0 CB A:ASP564 4.4 18.7 1.0 OD2 A:ASP674 4.5 16.6 1.0 CD2 A:HIS567 4.6 23.4 1.0 CD2 A:HIS525 4.6 19.9 1.0 O A:THR633 4.6 16.2 1.0 CA A:ASP564 4.7 18.8 1.0 NE2 A:HIS563 4.7 17.6 1.0 CB A:THR633 4.8 15.4 1.0 CD A:GLU592 4.9 21.9 1.0 C A:HIS563 5.0 17.3 1.0 CG A:GLU592 5.0 21.8 1.0 NE2 A:HIS525 5.0 20.5 1.0 NE2 A:HIS567 5.0 23.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of PDE10A2 in Complex with Gmp


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 PDE10A2 in Complex with Gmp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg405 b:28.6 occ:1.00 OD1 B:ASP564 2.1 25.6 1.0 O B:HOH10 2.3 22.9 1.0 O B:HOH14 2.3 32.7 1.0 O B:HOH13 2.4 29.7 1.0 O B:HOH12 2.4 28.7 1.0 O B:HOH15 2.4 32.7 1.0 CG B:ASP564 3.2 25.1 1.0 OD2 B:ASP564 3.6 25.4 1.0 ZN B:ZN404 3.8 27.8 1.0 OE2 B:GLU592 3.9 32.7 1.0 NE2 B:HIS595 3.9 27.6 1.0 CD2 B:HIS567 4.1 36.9 1.0 O B:HOH294 4.1 35.8 1.0 CD2 B:HIS563 4.2 22.8 1.0 O B:HOH11 4.2 26.4 1.0 NE2 B:HIS567 4.3 37.1 1.0 OG1 B:THR633 4.3 22.2 1.0 CD2 B:HIS595 4.3 27.9 1.0 O B:HIS563 4.4 23.9 1.0 CB B:ASP564 4.5 25.1 1.0 O B:THR633 4.5 21.5 1.0 NE2 B:HIS563 4.6 23.8 1.0 CD2 B:HIS525 4.6 32.8 1.0 CB B:THR633 4.7 21.4 1.0 OD2 B:ASP674 4.7 20.9 1.0 CA B:ASP564 4.8 25.1 1.0 CE1 B:HIS595 4.9 27.8 1.0 CD B:GLU592 4.9 32.8 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