Magnesium in PDB 1x88: Human EG5 Motor Domain Bound to Mg-Adp and Monastrol

The structure of Human EG5 Motor Domain Bound to Mg-Adp and Monastrol, PDB code: 1x88 was solved by Z.Maliga, T.J.Mitchison, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.706, 79.648, 159.451, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 22.5

The binding sites of Magnesium atom in the Human EG5 Motor Domain Bound to Mg-Adp and Monastrol (pdb code 1x88). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human EG5 Motor Domain Bound to Mg-Adp and Monastrol, PDB code: 1x88:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human EG5 Motor Domain Bound to Mg-Adp and Monastrol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human EG5 Motor Domain Bound to Mg-Adp and Monastrol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:10.3 occ:1.00 OG1 A:THR112 2.1 7.7 1.0 O3B A:ADP601 2.2 7.1 1.0 O A:HOH802 2.2 7.3 1.0 O A:HOH918 2.2 7.1 1.0 O A:HOH919 2.2 7.6 1.0 O A:HOH804 2.3 8.2 1.0 CB A:THR112 3.1 11.1 1.0 PB A:ADP601 3.3 8.4 1.0 O1B A:ADP601 3.5 9.3 1.0 O2A A:ADP601 3.8 16.8 1.0 N A:THR112 3.9 8.1 1.0 CA A:THR112 4.1 9.3 1.0 O A:SER232 4.1 11.1 1.0 OD2 A:ASP265 4.2 15.6 1.0 O A:HOH836 4.2 13.9 1.0 CG2 A:THR112 4.2 13.0 1.0 O A:HOH811 4.2 10.9 1.0 O3A A:ADP601 4.3 11.2 1.0 O A:HOH977 4.3 17.2 1.0 OD1 A:ASP265 4.4 15.3 1.0 O A:HOH803 4.4 8.6 1.0 O A:HOH976 4.4 23.1 1.0 O2B A:ADP601 4.5 8.8 1.0 PA A:ADP601 4.5 13.6 1.0 CG A:ASP265 4.7 14.1 1.0 CB A:LYS111 4.8 9.2 1.0 O1A A:ADP601 5.0 16.5 1.0 CE A:LYS111 5.0 8.3 1.0 C A:LYS111 5.0 7.5 1.0 O A:HOH900 5.0 27.2 1.0

Magnesium binding site 2 out of 2 in the Human EG5 Motor Domain Bound to Mg-Adp and Monastrol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human EG5 Motor Domain Bound to Mg-Adp and Monastrol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:8.1 occ:1.00 OG1 B:THR112 2.1 8.2 1.0 O3B B:ADP602 2.1 7.8 1.0 O B:HOH805 2.2 6.9 1.0 O B:HOH933 2.2 7.2 1.0 O B:HOH807 2.2 8.1 1.0 O B:HOH808 2.2 8.8 1.0 CB B:THR112 3.1 8.7 1.0 PB B:ADP602 3.3 8.7 1.0 O1B B:ADP602 3.5 8.5 1.0 O2A B:ADP602 3.7 16.6 1.0 N B:THR112 3.9 7.2 1.0 CA B:THR112 4.1 7.3 1.0 O B:SER232 4.1 11.8 1.0 OD2 B:ASP265 4.2 14.7 1.0 CG2 B:THR112 4.2 10.5 1.0 O B:HOH816 4.3 9.2 1.0 O3A B:ADP602 4.3 10.0 1.0 O B:HOH946 4.3 17.6 1.0 O B:HOH870 4.3 12.0 1.0 O B:HOH982 4.4 29.3 1.0 OD1 B:ASP265 4.4 15.7 1.0 O2B B:ADP602 4.4 9.5 1.0 O B:HOH809 4.5 10.1 1.0 PA B:ADP602 4.5 13.8 1.0 CG B:ASP265 4.7 14.9 1.0 CB B:LYS111 4.9 7.4 1.0 O1A B:ADP602 5.0 16.2 1.0 C B:LYS111 5.0 7.3 1.0

Z.Maliga, T.J.Mitchison. Structural Basis of EG5 Inhibition By Monastrol To Be Published.