Magnesium in PDB 3ksq: Discovery of C-Imidazole Azaheptapyridine Fpt Inhibitors

All present enzymatic activity of Discovery of C-Imidazole Azaheptapyridine Fpt Inhibitors:
2.5.1.58;

The structure of Discovery of C-Imidazole Azaheptapyridine Fpt Inhibitors, PDB code: 3ksq was solved by H.Y.Zhu, A.B.Cooper, G.Njoroge, P.Kirschmeier, C.Strickland, A.Hruza, V.M.Girijavallabhan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.64 / 2.10
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	171.122, 171.122, 69.269, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 21.9

The structure of Discovery of C-Imidazole Azaheptapyridine Fpt Inhibitors also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Magnesium atom in the Discovery of C-Imidazole Azaheptapyridine Fpt Inhibitors (pdb code 3ksq). 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 Discovery of C-Imidazole Azaheptapyridine Fpt Inhibitors, PDB code: 3ksq:

Magnesium binding site 1 out of 1 in the Discovery of C-Imidazole Azaheptapyridine Fpt Inhibitors


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Discovery of C-Imidazole Azaheptapyridine Fpt Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:27.9 occ:1.00 NE2 B:HIS194 2.2 35.5 1.0 O A:HOH381 2.3 25.9 1.0 O A:HOH427 2.3 24.7 1.0 OE1 B:GLU198 2.4 51.9 1.0 OE2 B:GLU198 2.8 60.8 1.0 CD B:GLU198 2.9 72.8 1.0 CE1 B:HIS194 3.1 35.2 1.0 CD2 B:HIS194 3.2 35.7 1.0 CB A:TYR131 4.0 25.6 1.0 CG A:GLN167 4.0 29.7 1.0 ND1 B:HIS194 4.3 35.6 1.0 CG B:HIS194 4.3 33.6 1.0 O B:HOH576 4.4 51.6 1.0 CG B:GLU198 4.5 56.2 1.0 CA B:GLY197 4.5 38.2 1.0 NE2 A:GLN167 4.5 42.7 1.0 O A:HOH426 4.5 24.6 1.0 CD2 A:HIS170 4.6 32.2 1.0 NE2 B:HIS149 4.7 27.1 1.0 N B:GLU198 4.8 42.1 1.0 CD A:GLN167 4.8 41.8 1.0 CG A:TYR131 4.9 26.6 1.0 CB A:GLN167 4.9 26.0 1.0 CA A:GLN167 4.9 25.3 1.0 CD2 B:HIS149 5.0 27.6 1.0 CG A:HIS170 5.0 29.5 1.0

H.Y.Zhu, A.B.Cooper, J.Desai, G.Njoroge, P.Kirschmeier, W.R.Bishop, C.Strickland, A.Hruza, R.J.Doll, V.M.Girijavallabhan. Discovery of C-Imidazole Azaheptapyridine Fpt Inhibitors. Bioorg.Med.Chem.Lett. V. 20 1134 2010.
ISSN: ISSN 0960-894X
PubMed: 20056542
DOI: 10.1016/J.BMCL.2009.12.013