Zinc 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:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of PDE10A (pdb code 2oup). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of PDE10A, PDB code: 2oup:
Jump to Zinc binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of PDE10A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn777 b:16.2 occ:1.00 O A:HOH1 2.0 13.9 1.0 OD2 A:ASP564 2.1 13.3 1.0 OD1 A:ASP674 2.1 14.9 1.0 NE2 A:HIS529 2.1 13.8 1.0 NE2 A:HIS563 2.1 13.2 1.0 CD2 A:HIS563 3.0 12.6 1.0 CG A:ASP674 3.0 15.5 1.0 CD2 A:HIS529 3.0 13.6 1.0 CE1 A:HIS529 3.1 14.0 1.0 CE1 A:HIS563 3.1 13.4 1.0 CG A:ASP564 3.1 12.7 1.0 OD2 A:ASP674 3.3 18.0 1.0 O A:HOH2 3.4 24.5 1.0 OD1 A:ASP564 3.7 12.4 1.0 MG A:MG778 3.7 13.4 1.0 CD2 A:HIS525 4.0 15.6 1.0 CG A:HIS563 4.2 13.1 1.0 ND1 A:HIS563 4.2 12.4 1.0 ND1 A:HIS529 4.2 13.5 1.0 CG A:HIS529 4.2 13.1 1.0 O A:HOH7 4.3 13.4 1.0 CB A:ASP564 4.3 13.0 1.0 O A:HOH327 4.3 29.2 1.0 CB A:ASP674 4.4 14.4 1.0 NE2 A:HIS525 4.4 16.5 1.0 O A:HOH6 4.6 13.9 1.0 CG2 A:VAL533 4.7 12.6 1.0 CA A:ASP674 4.8 13.6 1.0 O A:ASP674 4.9 14.7 1.0

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of PDE10A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn777 b:26.4 occ:1.00 OD1 B:ASP674 2.1 20.1 1.0 OD2 B:ASP564 2.1 18.9 1.0 NE2 B:HIS563 2.1 18.1 1.0 NE2 B:HIS529 2.1 18.9 1.0 O B:HOH11 2.1 17.3 1.0 O B:HOH12 2.3 30.8 1.0 CD2 B:HIS563 3.0 16.2 1.0 CD2 B:HIS529 3.0 17.8 1.0 CG B:ASP674 3.1 18.9 1.0 CG B:ASP564 3.1 17.2 1.0 CE1 B:HIS563 3.2 16.4 1.0 CE1 B:HIS529 3.2 18.1 1.0 OD2 B:ASP674 3.4 20.5 1.0 OD1 B:ASP564 3.6 17.1 1.0 MG B:MG778 3.8 17.7 1.0 O B:HOH13 4.1 20.1 1.0 CG B:HIS563 4.2 16.3 1.0 CG B:HIS529 4.2 17.0 1.0 ND1 B:HIS563 4.2 15.8 1.0 ND1 B:HIS529 4.2 17.5 1.0 CD2 B:HIS525 4.3 26.6 1.0 CB B:ASP564 4.3 16.5 1.0 CB B:ASP674 4.4 16.9 1.0 O B:HOH23 4.7 40.7 1.0 CG2 B:VAL533 4.7 14.7 1.0 O B:HOH15 4.7 18.1 1.0 CA B:ASP674 4.9 15.4 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