Magnesium in PDB 4z2b: The Structure of Human PDE12 Residues 161-609 in Complex with GSK3036342A

All present enzymatic activity of The Structure of Human PDE12 Residues 161-609 in Complex with GSK3036342A:
3.1.13.4;

The structure of The Structure of Human PDE12 Residues 161-609 in Complex with GSK3036342A, PDB code: 4z2b was solved by R.T.Nolte, B.Wisely, L.Wang, E.R.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.30 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.309, 66.532, 124.880, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.8

The binding sites of Magnesium atom in the The Structure of Human PDE12 Residues 161-609 in Complex with GSK3036342A (pdb code 4z2b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the The Structure of Human PDE12 Residues 161-609 in Complex with GSK3036342A, PDB code: 4z2b:

Magnesium binding site 1 out of 1 in the The Structure of Human PDE12 Residues 161-609 in Complex with GSK3036342A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Human PDE12 Residues 161-609 in Complex with GSK3036342A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg706 b:44.4 occ:1.00 O A:HOH847 2.2 28.2 1.0 O A:HOH828 2.2 23.5 1.0 O A:HOH1038 2.4 23.6 1.0 O18 A:4LC705 2.7 15.6 1.0 OD2 A:ASP598 2.8 27.8 1.0 O34 A:4LC705 3.0 17.1 1.0 O A:HOH844 3.2 45.0 1.0 OE2 A:GLU351 3.4 16.1 1.0 C17 A:4LC705 3.5 15.3 1.0 CG A:ASP598 3.6 17.9 1.0 OD1 A:ASP598 3.7 12.5 1.0 OH A:TYR318 3.9 14.9 1.0 C31 A:4LC705 4.0 15.7 1.0 OE1 A:GLU351 4.1 13.9 1.0 C29 A:4LC705 4.1 13.3 1.0 N19 A:4LC705 4.1 14.8 1.0 CD A:GLU351 4.2 13.9 1.0 O A:HOH922 4.2 21.0 1.0 C13 A:4LC705 4.4 13.8 1.0 NE2 A:HIS599 4.4 14.3 1.0 C14 A:4LC705 4.4 12.7 1.0 CD1 A:LEU303 4.5 13.7 1.0 O A:HOH920 4.6 12.2 1.0 CD2 A:HIS599 4.7 14.3 1.0 O A:HOH808 4.8 11.5 1.0 ND2 A:ASN301 4.9 9.8 1.0

E.R.Wood, R.Bledsoe, J.Chai, P.Daka, H.Deng, Y.Ding, S.Harris-Gurley, L.H.Kryn, E.Nartey, J.Nichols, R.T.Nolte, N.Prabhu, C.Rise, T.Sheahan, J.B.Shotwell, D.Smith, V.Tai, J.D.Taylor, G.Tomberlin, L.Wang, B.Wisely, S.You, B.Xia, H.Dickson. The Role of Phosphodiesterase 12 (PDE12) As A Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors. J.Biol.Chem. V. 290 19681 2015.
ISSN: ESSN 1083-351X
PubMed: 26055709
DOI: 10.1074/JBC.M115.653113