Zinc 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:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the Schistosoma Mansoni Phosphodiesterase 4A (pdb code 6fg5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Schistosoma Mansoni Phosphodiesterase 4A, PDB code: 6fg5:
Jump to Zinc binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Schistosoma Mansoni Phosphodiesterase 4A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:42.0 occ:1.00 O A:HOH803 1.9 33.5 1.0 O A:HOH823 2.1 35.1 1.0 OD1 A:ASP575 2.1 36.8 1.0 NE2 A:HIS457 2.2 36.5 1.0 OD2 A:ASP458 2.2 33.6 1.0 NE2 A:HIS421 2.2 34.5 1.0 CD2 A:HIS457 3.0 35.8 1.0 CG A:ASP575 3.1 38.3 1.0 CD2 A:HIS421 3.1 34.9 1.0 CG A:ASP458 3.2 35.4 1.0 CE1 A:HIS457 3.3 37.4 1.0 OD2 A:ASP575 3.3 38.8 1.0 CE1 A:HIS421 3.3 37.3 1.0 OD1 A:ASP458 3.7 36.2 1.0 MG A:MG702 3.8 52.2 1.0 CD2 A:HIS417 4.1 38.8 1.0 CG A:HIS457 4.2 36.3 1.0 O A:HOH830 4.3 39.7 1.0 CG A:HIS421 4.3 36.2 1.0 CB A:ASP458 4.3 35.5 1.0 ND1 A:HIS457 4.3 38.3 1.0 ND1 A:HIS421 4.4 36.1 1.0 CB A:ASP575 4.5 37.5 1.0 NE2 A:HIS417 4.6 39.2 1.0 CG2 A:VAL425 4.7 37.2 1.0 O A:HOH804 4.8 37.1 1.0

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Schistosoma Mansoni Phosphodiesterase 4A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn701 b:44.3 occ:1.00 O B:HOH809 2.1 41.9 1.0 OD2 B:ASP458 2.2 40.6 1.0 O B:HOH813 2.2 34.3 1.0 NE2 B:HIS421 2.2 37.5 1.0 NE2 B:HIS457 2.3 39.5 1.0 OD1 B:ASP575 2.4 43.0 1.0 CD2 B:HIS457 3.0 39.2 1.0 CD2 B:HIS421 3.1 39.8 1.0 CG B:ASP575 3.2 39.2 1.0 CG B:ASP458 3.2 39.2 1.0 OD2 B:ASP575 3.2 41.7 1.0 CE1 B:HIS421 3.2 41.0 1.0 CE1 B:HIS457 3.4 39.6 1.0 OD1 B:ASP458 3.7 41.0 1.0 MG B:MG702 3.9 50.3 1.0 CD2 B:HIS417 4.2 43.4 1.0 CG B:HIS457 4.3 37.9 1.0 O B:HOH803 4.3 43.3 1.0 CG B:HIS421 4.3 41.0 1.0 ND1 B:HIS421 4.3 39.4 1.0 ND1 B:HIS457 4.4 36.3 1.0 CB B:ASP458 4.4 37.2 1.0 O B:HOH817 4.5 48.2 1.0 NE2 B:HIS417 4.5 45.8 1.0 CB B:ASP575 4.5 38.6 1.0 O B:HOH808 4.6 41.2 1.0 CG2 B:VAL425 4.7 36.6 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.