Magnesium in PDB 3f2a: Crystal Structure of Human Pim-1 in Complex with Dappa

All present enzymatic activity of Crystal Structure of Human Pim-1 in Complex with Dappa:
2.7.11.1;

The structure of Crystal Structure of Human Pim-1 in Complex with Dappa, PDB code: 3f2a was solved by K.Qian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	96.060, 96.060, 80.530, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Magnesium atom in the Crystal Structure of Human Pim-1 in Complex with Dappa (pdb code 3f2a). 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 Crystal Structure of Human Pim-1 in Complex with Dappa, PDB code: 3f2a:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human Pim-1 in Complex with Dappa


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 Pim-1 in Complex with Dappa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg314 b:39.7 occ:1.00 OE2 A:GLU89 2.7 30.2 1.0 N A:PHE187 2.8 25.4 1.0 O2 A:9851 2.9 25.0 1.0 CA A:ASP186 3.2 23.2 1.0 N A:ASP186 3.5 21.7 1.0 C A:ASP186 3.5 24.2 1.0 CD A:GLU89 3.6 31.4 1.0 O1 A:9851 3.7 25.5 1.0 NZ A:LYS67 3.7 30.4 1.0 C9 A:9851 3.7 24.3 1.0 CA A:PHE187 3.8 26.4 1.0 CG A:GLU89 3.9 31.5 1.0 CD1 A:LEU93 3.9 25.2 1.0 CB A:PHE187 3.9 25.7 1.0 CD1 A:PHE187 4.0 25.9 1.0 CD2 A:LEU93 4.2 28.9 1.0 CG A:LEU93 4.3 29.7 1.0 N A:GLY188 4.3 25.4 1.0 OD1 A:ASP186 4.4 26.2 1.0 C A:PHE187 4.4 27.0 1.0 CG A:PHE187 4.5 27.0 1.0 CB A:ASP186 4.6 24.7 1.0 C A:ILE185 4.6 22.6 1.0 OE1 A:GLU89 4.7 30.1 1.0 O A:ASP186 4.7 23.6 1.0 CD1 A:ILE104 4.7 31.8 1.0 CD A:LYS67 4.8 27.4 1.0 CE A:LYS67 4.8 27.8 1.0 CD2 A:LEU120 4.9 22.5 1.0 CG A:ASP186 4.9 25.6 1.0

K.Qian, L.Wang, C.L.Cywin, B.T.Farmer, E.Hickey, C.Homon, S.Jakes, M.A.Kashem, G.Lee, S.Leonard, J.Li, R.Magboo, W.Mao, E.Pack, C.Peng, A.Prokopowicz, M.Welzel, J.Wolak, T.Morwick. Hit to Lead Account of the Discovery of A New Class of Inhibitors of Pim Kinases and Crystallographic Studies Revealing An Unusual Kinase Binding Mode. J.Med.Chem. V. 52 1814 2009.
ISSN: ISSN 0022-2623
PubMed: 19256503
DOI: 10.1021/JM801242Y