Magnesium in PDB 4a50: Crystal Structure of Human Kinesin EG5 in Complex with 2-Amino-5-(3-Methylphenyl)-5,5-Diphenylpentanoic Acid

The structure of Crystal Structure of Human Kinesin EG5 in Complex with 2-Amino-5-(3-Methylphenyl)-5,5-Diphenylpentanoic Acid, PDB code: 4a50 was solved by H.Y.K.Kaan, F.Kozielski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.03 / 2.75
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	158.540, 158.540, 158.540, 90.00, 90.00, 90.00
R / Rfree (%)	19.759 / 24.301

The binding sites of Magnesium atom in the Crystal Structure of Human Kinesin EG5 in Complex with 2-Amino-5-(3-Methylphenyl)-5,5-Diphenylpentanoic Acid (pdb code 4a50). 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 Kinesin EG5 in Complex with 2-Amino-5-(3-Methylphenyl)-5,5-Diphenylpentanoic Acid, PDB code: 4a50:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human Kinesin EG5 in Complex with 2-Amino-5-(3-Methylphenyl)-5,5-Diphenylpentanoic Acid


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 Kinesin EG5 in Complex with 2-Amino-5-(3-Methylphenyl)-5,5-Diphenylpentanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:42.1 occ:1.00 O A:HOH2011 1.9 49.6 1.0 O A:HOH2024 2.0 47.3 1.0 O A:HOH2012 2.0 38.9 1.0 O A:HOH2013 2.2 41.8 1.0 O3B A:ADP600 2.2 48.1 1.0 OG1 A:THR112 2.5 46.4 1.0 PB A:ADP600 3.4 51.1 1.0 CB A:THR112 3.5 48.2 1.0 O1B A:ADP600 3.5 49.3 1.0 OG A:SER232 3.8 60.5 1.0 O A:SER232 4.2 57.7 1.0 O2A A:ADP600 4.2 42.3 1.0 OD2 A:ASP265 4.3 54.9 1.0 O2B A:ADP600 4.4 50.0 1.0 N A:THR112 4.4 48.1 1.0 CG2 A:THR112 4.5 45.5 1.0 O A:HOH2010 4.5 47.8 1.0 CA A:THR112 4.5 48.3 1.0 O3A A:ADP600 4.6 48.2 1.0 OD1 A:ASP265 4.6 60.5 1.0 PA A:ADP600 4.8 49.9 1.0 CG A:ASP265 4.9 55.6 1.0 O1A A:ADP600 4.9 52.6 1.0 C A:SER232 4.9 56.4 1.0

F.Wang, J.A.D.Good, O.Rath, H.Y.K.Kaan, O.B.Sutcliffe, S.P.Mackay, F.Kozielski. Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity. J.Med.Chem. V. 55 1511 2012.
ISSN: ISSN 0022-2623
PubMed: 22248262
DOI: 10.1021/JM201195M