Magnesium in PDB 6fg5: Schistosoma Mansoni Phosphodiesterase 4A

The structure of Schistosoma Mansoni Phosphodiesterase 4A, PDB code: 6fg5 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)	47.50 / 2.35
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.799, 81.799, 256.127, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 24.5

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 6fg5). 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: 6fg5:
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:52.2 occ:1.00 O A:HOH804 2.0 37.1 1.0 O A:HOH810 2.1 46.1 1.0 O A:HOH803 2.1 33.5 1.0 O A:HOH830 2.2 39.7 1.0 OD1 A:ASP458 2.2 36.2 1.0 O A:HOH814 2.3 46.0 1.0 CG A:ASP458 3.3 35.4 1.0 OD2 A:ASP458 3.6 33.6 1.0 ZN A:ZN701 3.8 42.0 1.0 CD2 A:HIS457 4.1 35.8 1.0 O A:HIS457 4.1 37.4 1.0 OG1 A:THR528 4.1 35.4 1.0 O A:HOH823 4.2 35.1 1.0 OD2 A:ASP575 4.2 38.8 1.0 OE2 A:GLU487 4.3 41.8 1.0 NE2 A:HIS490 4.3 39.3 1.0 O A:THR528 4.4 40.2 1.0 CB A:THR528 4.4 37.5 1.0 NE2 A:HIS457 4.6 36.5 1.0 CB A:ASP458 4.6 35.5 1.0 CD2 A:HIS490 4.7 37.9 1.0 CG A:GLU487 4.8 40.8 1.0 CD2 A:HIS461 4.8 41.5 1.0 CD A:GLU487 4.9 39.9 1.0 C A:THR528 5.0 39.7 1.0 O A:HOH819 5.0 40.6 1.0 OD1 A:ASP575 5.0 36.8 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:50.3 occ:1.00 O B:HOH808 2.0 41.2 1.0 O B:HOH813 2.1 34.3 1.0 O B:HOH812 2.1 45.1 1.0 OD1 B:ASP458 2.3 41.0 1.0 O B:HOH817 2.3 48.2 1.0 O B:HOH804 2.4 47.7 1.0 CG B:ASP458 3.3 39.2 1.0 OD2 B:ASP458 3.5 40.6 1.0 ZN B:ZN701 3.9 44.3 1.0 OE2 B:GLU487 4.0 48.3 1.0 NE2 B:HIS490 4.0 35.8 1.0 O B:HOH809 4.1 41.9 1.0 OG1 B:THR528 4.2 42.6 1.0 O B:HIS457 4.3 38.2 1.0 CD2 B:HIS457 4.3 39.2 1.0 CD2 B:HIS490 4.4 36.0 1.0 CD2 B:HIS461 4.5 40.3 1.0 CB B:ASP458 4.6 37.2 1.0 OD2 B:ASP575 4.7 41.7 1.0 O B:THR528 4.7 42.8 1.0 NE2 B:HIS461 4.8 40.0 1.0 NE2 B:HIS457 4.8 39.5 1.0 CB B:THR528 4.8 41.4 1.0 NE2 B:HIS417 4.8 45.8 1.0 CD B:GLU487 4.8 45.0 1.0 CG B:GLU487 4.8 45.4 1.0 CD2 B:HIS417 4.9 43.4 1.0 CA B:ASP458 4.9 36.1 1.0

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