Magnesium in PDB 6ezu: Schistosoma Mansoni Phosphodiesterase 4A

The structure of Schistosoma Mansoni Phosphodiesterase 4A, PDB code: 6ezu was solved by D.G.Brown, S.Schroeder, C.Gil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	85.44 / 2.04
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.550, 81.550, 255.870, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 23.3

The structure of Schistosoma Mansoni Phosphodiesterase 4A also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Schistosoma Mansoni Phosphodiesterase 4A (pdb code 6ezu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Schistosoma Mansoni Phosphodiesterase 4A, PDB code: 6ezu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Schistosoma Mansoni Phosphodiesterase 4A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Schistosoma Mansoni Phosphodiesterase 4A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:40.6 occ:1.00 O A:HOH815 2.0 41.7 1.0 OD1 A:ASP458 2.1 45.0 1.0 O2P A:CMP703 2.1 54.0 1.0 O A:HOH806 2.2 42.0 1.0 O A:HOH814 2.2 43.6 1.0 O A:HOH802 2.2 48.1 1.0 CG A:ASP458 3.2 45.3 1.0 P A:CMP703 3.4 63.8 1.0 OD2 A:ASP458 3.6 39.9 1.0 O5' A:CMP703 3.7 48.7 1.0 ZN A:ZN701 3.9 43.9 1.0 O1P A:CMP703 4.0 47.3 1.0 O A:HOH804 4.0 56.6 1.0 NE2 A:HIS490 4.1 43.6 1.0 O A:HOH810 4.1 48.7 1.0 O A:HIS457 4.1 40.4 1.0 CD2 A:HIS457 4.2 38.7 1.0 OG1 A:THR528 4.2 39.7 1.0 OE2 A:GLU487 4.2 43.4 1.0 CD2 A:HIS490 4.4 41.3 1.0 CB A:ASP458 4.5 41.3 1.0 O A:THR528 4.6 44.4 1.0 CD2 A:HIS461 4.6 46.4 1.0 OD2 A:ASP575 4.6 42.3 1.0 CB A:THR528 4.6 40.9 1.0 NE2 A:HIS457 4.7 38.0 1.0 O3' A:CMP703 4.8 68.8 1.0 CG A:GLU487 4.9 43.7 1.0 CA A:ASP458 4.9 44.3 1.0 CD A:GLU487 4.9 44.8 1.0 NE2 A:HIS461 5.0 46.0 1.0

Magnesium binding site 2 out of 2 in the Schistosoma Mansoni Phosphodiesterase 4A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Schistosoma Mansoni Phosphodiesterase 4A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:44.1 occ:1.00 O3P B:AMP703 1.9 50.7 1.0 O B:HOH806 2.0 45.5 1.0 OD1 B:ASP458 2.1 46.6 1.0 O B:HOH814 2.2 41.9 1.0 O B:HOH801 2.2 44.3 1.0 O B:HOH804 2.3 45.2 1.0 CG B:ASP458 3.2 46.3 1.0 P B:AMP703 3.3 61.0 1.0 OD2 B:ASP458 3.5 45.8 1.0 O2P B:AMP703 3.9 55.4 1.0 O5' B:AMP703 3.9 49.5 1.0 ZN B:ZN701 3.9 47.2 1.0 OG1 B:THR528 3.9 46.6 1.0 NE2 B:HIS490 4.0 44.4 1.0 CD2 B:HIS457 4.2 43.4 1.0 O B:HIS457 4.2 43.5 1.0 OE2 B:GLU487 4.2 47.6 1.0 O B:HOH815 4.2 47.8 1.0 CD2 B:HIS490 4.3 43.0 1.0 CB B:ASP458 4.6 41.6 1.0 O1P B:AMP703 4.6 57.0 1.0 NE2 B:HIS457 4.6 40.8 1.0 CD2 B:HIS461 4.6 47.5 1.0 CB B:THR528 4.6 43.5 1.0 O B:THR528 4.6 47.2 1.0 CG B:GLU487 4.7 49.7 1.0 OD2 B:ASP575 4.7 46.9 1.0 CD B:GLU487 4.8 51.2 1.0 CA B:ASP458 4.9 38.6 1.0 NE2 B:HIS461 5.0 52.1 1.0 CD2 B:HIS417 5.0 44.7 1.0

D.G.Brown, S.Schroeder, C.Gil, J.Munday, H.Koning, M.Siderius, R.Leurs. The Structure of Schistosoma Mansoni Phosphodiesterase 4A in Complex with Camp To Be Published.