Magnesium in PDB 1udu: Crystal Structure of Human Phosphodiesterase 5 Complexed with Tadalafil(Cialis)

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 5 Complexed with Tadalafil(Cialis):
3.1.4.17;

The structure of Crystal Structure of Human Phosphodiesterase 5 Complexed with Tadalafil(Cialis), PDB code: 1udu was solved by B.-J.Sung, J.I.Lee, Y.-S.Heo, J.H.Kim, J.Moon, J.M.Yoon, Y.-L.Hyun, E.Kim, S.J.Eum, T.G.Lee, J.M.Cho, S.-Y.Park, J.-O.Lee, Y.H.Jeon, K.Y.Hwang, S.Ro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.59 / 2.83
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.352, 48.561, 123.863, 90.00, 117.28, 90.00
R / Rfree (%)	26.3 / 37.4

The structure of Crystal Structure of Human Phosphodiesterase 5 Complexed with Tadalafil(Cialis) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 5 Complexed with Tadalafil(Cialis) (pdb code 1udu). 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 Human Phosphodiesterase 5 Complexed with Tadalafil(Cialis), PDB code: 1udu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Phosphodiesterase 5 Complexed with Tadalafil(Cialis)


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 5 Complexed with Tadalafil(Cialis) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:36.6 occ:1.00 OD1 A:ASP654 3.1 19.8 1.0 OD2 A:ASP654 3.7 31.7 1.0 CG A:ASP654 3.7 38.3 1.0 O A:THR723 3.9 85.7 1.0 OG1 A:THR723 4.2 75.5 1.0 ZN A:ZN1001 4.4 0.0 1.0 CB A:THR723 4.5 11.2 1.0 NE2 A:HIS613 4.6 6.0 1.0 OD1 A:ASP764 4.6 21.9 1.0 C A:THR723 4.7 73.5 1.0 OE1 A:GLU682 4.8 52.1 1.0 OD2 A:ASP764 4.8 29.1 1.0 CE1 A:HIS657 4.8 45.2 1.0 CD2 A:HIS613 4.9 40.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Phosphodiesterase 5 Complexed with Tadalafil(Cialis)


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 5 Complexed with Tadalafil(Cialis) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2002 b:16.0 occ:1.00 OD1 B:ASP654 3.1 6.0 1.0 OG1 B:THR723 3.5 55.2 1.0 O B:THR723 3.5 0.7 1.0 CG B:ASP654 3.9 54.7 1.0 CB B:THR723 3.9 48.4 1.0 OD2 B:ASP654 3.9 22.2 1.0 ZN B:ZN2001 4.0 0.0 1.0 C B:THR723 4.2 67.6 1.0 OD2 B:ASP764 4.2 33.9 1.0 OD1 B:ASP764 4.4 71.0 1.0 OE1 B:GLU682 4.6 39.9 1.0 CG B:ASP764 4.7 95.8 1.0 CA B:THR723 4.7 27.8 1.0 NE2 B:HIS613 4.9 13.9 1.0

B.-J.Sung, K.Y.Hwang, Y.H.Jeon, J.I.Lee, Y.-S.Heo, J.H.Kim, J.Moon, J.M.Yoon, Y.-L.Hyun, E.Kim, S.J.Eum, S.-Y.Park, J.-O.Lee, T.G.Lee, S.Ro, J.M.Cho. Structure of the Catalytic Domain of Human Phosphodiesterase 5 with Bound Drug Molecules Nature V. 425 98 2003.
ISSN: ISSN 0028-0836
PubMed: 12955149
DOI: 10.1038/NATURE01914