Zinc in PDB 2h44: Crystal Structure of PDE5A1 in Complex with Icarisid II

All present enzymatic activity of Crystal Structure of PDE5A1 in Complex with Icarisid II:
3.1.4.35;

The structure of Crystal Structure of PDE5A1 in Complex with Icarisid II, PDB code: 2h44 was solved by H.Wang, H.Ke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	110.746, 110.746, 106.159, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 23.3

The structure of Crystal Structure of PDE5A1 in Complex with Icarisid II also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Zinc atom in the Crystal Structure of PDE5A1 in Complex with Icarisid II (pdb code 2h44). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of PDE5A1 in Complex with Icarisid II, PDB code: 2h44:

Zinc binding site 1 out of 1 in the Crystal Structure of PDE5A1 in Complex with Icarisid II


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 PDE5A1 in Complex with Icarisid II within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:36.4 occ:1.00 OD1 A:ASP764 2.1 22.9 1.0 OD2 A:ASP654 2.1 23.9 1.0 NE2 A:HIS653 2.1 19.4 1.0 NE2 A:HIS617 2.1 19.7 1.0 O A:HOH2 2.2 19.1 1.0 O A:HOH1 2.3 21.8 1.0 CD2 A:HIS653 2.9 19.0 1.0 CG A:ASP764 3.0 23.0 1.0 CD2 A:HIS617 3.1 17.7 1.0 CE1 A:HIS617 3.1 17.8 1.0 CG A:ASP654 3.2 23.6 1.0 CE1 A:HIS653 3.2 19.8 1.0 OD2 A:ASP764 3.4 26.5 1.0 OD1 A:ASP654 3.7 25.2 1.0 MG A:MG502 3.8 40.8 1.0 O8 A:7CA301 4.1 27.6 1.0 CG A:HIS653 4.1 18.8 1.0 ND1 A:HIS617 4.2 18.8 1.0 CG A:HIS617 4.2 17.8 1.0 ND1 A:HIS653 4.2 18.6 1.0 CD2 A:HIS613 4.3 21.0 1.0 CB A:ASP654 4.3 21.8 1.0 CB A:ASP764 4.3 19.6 1.0 O A:HOH3 4.7 44.2 1.0 NE2 A:HIS613 4.8 19.8 1.0 OG1 A:THR621 4.8 16.9 1.0 CA A:ASP764 4.9 17.4 1.0 O A:ASP764 5.0 17.7 1.0

H.Wang, Y.Liu, Q.Huai, J.Cai, R.Zoraghi, S.H.Francis, J.D.Corbin, H.Robinson, Z.Xin, G.Lin, H.Ke. Multiple Conformations of Phosphodiesterase-5: Implications For Enzyme Function and Drug Development J.Biol.Chem. V. 281 21469 2006.
ISSN: ISSN 0021-9258
PubMed: 16735511
DOI: 10.1074/JBC.M512527200