Magnesium in PDB 4ap0: The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib

The structure of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib, PDB code: 4ap0 was solved by A.W.Schuettelkopf, S.K.Talapatra, F.Kozielski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.86 / 2.59
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.723, 112.607, 106.913, 90.00, 90.02, 90.00
R / Rfree (%)	20.4 / 25.3

The structure of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib also contains other interesting chemical elements:

Chlorine

(Cl)

10 atoms

The binding sites of Magnesium atom in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib (pdb code 4ap0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib, PDB code: 4ap0:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:30.1 occ:1.00 O A:HOH2003 2.2 61.9 1.0 O3B A:ADP1003 2.3 33.0 1.0 O A:HOH2008 2.3 50.7 1.0 OG1 A:THR112 2.3 33.5 1.0 O A:HOH2004 2.3 68.8 1.0 PB A:ADP1003 3.4 33.9 1.0 O1B A:ADP1003 3.5 45.9 1.0 CB A:THR112 3.5 43.0 1.0 O2A A:ADP1003 3.9 36.9 1.0 O A:SER232 4.0 91.9 1.0 OG A:SER232 4.1 70.8 1.0 N A:THR112 4.2 34.4 1.0 O2B A:ADP1003 4.4 34.8 1.0 CA A:THR112 4.4 38.4 1.0 O3A A:ADP1003 4.5 18.4 1.0 CG2 A:THR112 4.6 33.1 1.0 OD2 A:ASP265 4.7 44.8 1.0 PA A:ADP1003 4.7 29.4 1.0 OD1 A:ASP265 4.8 38.4 1.0 O A:HOH2007 4.8 35.3 1.0 C A:SER232 4.9 78.3 1.0 CE A:LYS111 4.9 30.9 1.0

Magnesium binding site 2 out of 4 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:35.1 occ:1.00 O B:HOH2006 2.0 86.2 1.0 O B:HOH2003 2.1 34.2 1.0 O3B B:ADP1003 2.3 45.5 1.0 OG1 B:THR112 2.3 42.4 1.0 O B:HOH2002 2.3 61.7 1.0 CB B:THR112 3.2 47.7 1.0 PB B:ADP1003 3.2 30.2 1.0 O1B B:ADP1003 3.3 54.1 1.0 OD2 B:ASP265 3.8 67.7 1.0 O2A B:ADP1003 3.9 44.0 1.0 N B:THR112 4.0 39.4 1.0 CA B:THR112 4.2 52.3 1.0 CG2 B:THR112 4.2 26.9 1.0 O2B B:ADP1003 4.2 42.5 1.0 O3A B:ADP1003 4.3 18.3 1.0 OD1 B:ASP265 4.5 54.7 1.0 CG B:ASP265 4.5 66.4 1.0 PA B:ADP1003 4.6 27.5 1.0 O B:HOH2005 4.6 47.9 1.0 O B:SER232 4.9 75.0 1.0 O1A B:ADP1003 5.0 44.0 1.0

Magnesium binding site 3 out of 4 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1001 b:55.1 occ:1.00 O C:HOH2005 2.3 50.2 1.0 OG1 C:THR112 2.3 18.8 1.0 O C:HOH2006 2.3 70.9 1.0 O3B C:ADP1003 2.3 39.3 1.0 O C:HOH2010 2.4 48.6 1.0 CB C:THR112 3.4 29.9 1.0 PB C:ADP1003 3.4 30.8 1.0 O1B C:ADP1003 3.5 29.5 1.0 O C:SER232 4.1 85.5 1.0 O2A C:ADP1003 4.2 30.2 1.0 OD1 C:ASP265 4.3 57.4 1.0 CG2 C:THR112 4.3 26.7 1.0 N C:THR112 4.3 33.5 1.0 O2B C:ADP1003 4.3 15.9 1.0 CA C:THR112 4.5 28.4 1.0 OD2 C:ASP265 4.5 50.2 1.0 O3A C:ADP1003 4.6 15.9 1.0 CG C:ASP265 4.7 55.1 1.0 C C:SER232 4.8 74.6 1.0 PA C:ADP1003 4.9 25.5 1.0

Magnesium binding site 4 out of 4 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1001 b:50.1 occ:1.00 O D:HOH2002 2.1 32.4 1.0 O D:HOH2003 2.2 60.6 1.0 O D:HOH2008 2.2 80.1 1.0 OG1 D:THR112 2.3 22.3 1.0 O3B D:ADP1003 2.3 53.6 1.0 CB D:THR112 3.1 34.2 1.0 PB D:ADP1003 3.4 44.8 1.0 O1B D:ADP1003 3.7 55.2 1.0 CG2 D:THR112 3.9 16.2 1.0 O2A D:ADP1003 4.1 31.5 1.0 N D:THR112 4.3 36.4 1.0 OD2 D:ASP265 4.3 21.4 1.0 O2B D:ADP1003 4.3 15.1 1.0 CA D:THR112 4.3 36.0 1.0 OD1 D:ASP265 4.4 27.7 1.0 O D:HOH2007 4.5 45.2 1.0 O D:SER232 4.5 68.1 1.0 O3A D:ADP1003 4.6 18.5 1.0 CG D:ASP265 4.8 42.2 1.0 CB D:SER232 4.9 44.3 1.0 PA D:ADP1003 4.9 39.7 1.0

S.K.Talapatra, A.W.Schuettelkopf, F.Kozielski. The Structure of the Ternary EG5-Adp-Ispinesib Complex Acta Crystallogr.,Sect.D V. 68 1311 2012.
ISSN: ISSN 0907-4449
PubMed: 22993085
DOI: 10.1107/S0907444912027965