Magnesium in PDB 3ee2: Structure of Human Prostaglandin D-Synthase (HGSTS1-1) in Complex with Nocodazole

All present enzymatic activity of Structure of Human Prostaglandin D-Synthase (HGSTS1-1) in Complex with Nocodazole:
5.3.99.2;

The structure of Structure of Human Prostaglandin D-Synthase (HGSTS1-1) in Complex with Nocodazole, PDB code: 3ee2 was solved by A.J.Oakley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.97 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.220, 79.359, 107.547, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.2

The binding sites of Magnesium atom in the Structure of Human Prostaglandin D-Synthase (HGSTS1-1) in Complex with Nocodazole (pdb code 3ee2). 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 Structure of Human Prostaglandin D-Synthase (HGSTS1-1) in Complex with Nocodazole, PDB code: 3ee2:

Magnesium binding site 1 out of 1 in the Structure of Human Prostaglandin D-Synthase (HGSTS1-1) in Complex with Nocodazole


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human Prostaglandin D-Synthase (HGSTS1-1) in Complex with Nocodazole within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg300 b:50.3 occ:1.00 O B:HOH303 2.2 49.5 1.0 O B:HOH369 2.2 49.6 1.0 O B:HOH302 2.2 48.4 1.0 O B:HOH301 2.2 49.1 1.0 O B:HOH370 2.2 47.0 1.0 O B:HOH371 2.2 48.3 1.0 OD2 B:ASP96 3.7 38.2 1.0 OD2 B:ASP97 4.0 31.1 1.0 OD2 A:ASP96 4.0 38.2 1.0 OD2 B:ASP93 4.3 34.4 1.0 OD2 A:ASP97 4.3 42.5 1.0 OD2 A:ASP93 4.6 40.5 1.0 CG B:ASP93 4.6 34.4 1.0 CG B:ASP96 4.6 35.1 1.0 CB B:ASP96 4.8 31.1 1.0 OD1 B:ASP93 4.8 39.9 1.0 CG A:ASP93 4.9 38.1 1.0 OD1 A:ASP93 5.0 42.8 1.0 CD1 B:LEU65 5.0 33.1 1.0

J.E.Weber, A.J.Oakley, A.N.Christ, A.G.Clark, J.D.Hayes, R.Hall, D.A.Hume, P.G.Board, M.L.Smythe, J.U.Flanagan. Identification and Characterisation of New Inhibitors For the Human Hematopoietic Prostaglandin D(2) Synthase Eur.J.Med.Chem. V. 45 447 2010.
ISSN: ISSN 0223-5234
PubMed: 19939518
DOI: 10.1016/J.EJMECH.2009.10.025