Magnesium in PDB 3lre: Crystal Structure Analysis of Human Kinesin-8 Motor Domain

The structure of Crystal Structure Analysis of Human Kinesin-8 Motor Domain, PDB code: 3lre was solved by K.Brejc, C.A.Moores, J.Hartman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.71 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.420, 79.744, 140.145, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 27.7

The binding sites of Magnesium atom in the Crystal Structure Analysis of Human Kinesin-8 Motor Domain (pdb code 3lre). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure Analysis of Human Kinesin-8 Motor Domain, PDB code: 3lre:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure Analysis of Human Kinesin-8 Motor Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Analysis of Human Kinesin-8 Motor Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:34.0 occ:1.00 O2B A:ADP500 2.0 23.6 1.0 OG1 A:THR120 2.1 24.5 1.0 O A:HOH446 2.2 19.7 1.0 O A:HOH457 2.2 17.5 1.0 O A:HOH450 2.4 28.3 1.0 CB A:THR120 3.1 22.4 1.0 PB A:ADP500 3.3 25.7 1.0 O1B A:ADP500 3.3 25.8 1.0 O1A A:ADP500 3.9 31.7 1.0 N A:THR120 3.9 22.9 1.0 CA A:THR120 4.1 22.8 1.0 CG2 A:THR120 4.1 22.0 1.0 OD2 A:ASP258 4.1 18.1 1.0 O A:HOH431 4.2 28.5 1.0 O3A A:ADP500 4.2 26.9 1.0 O A:HOH399 4.2 18.9 1.0 O3B A:ADP500 4.4 18.7 1.0 OD1 A:ASP258 4.4 19.5 1.0 PA A:ADP500 4.4 30.4 1.0 O A:HOH436 4.5 38.5 1.0 O2A A:ADP500 4.5 28.8 1.0 O A:HOH409 4.5 28.2 1.0 CG A:ASP258 4.7 21.1 1.0 O A:HOH376 4.7 23.4 1.0 NH1 A:ARG214 4.8 23.9 1.0 CB A:LYS119 4.9 23.0 1.0 NH2 A:ARG214 5.0 21.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure Analysis of Human Kinesin-8 Motor Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure Analysis of Human Kinesin-8 Motor Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:18.3 occ:1.00 O B:HOH494 1.9 10.3 1.0 O2B B:ADP500 2.0 17.7 1.0 OG1 B:THR120 2.0 16.4 1.0 O B:HOH399 2.0 19.7 1.0 O B:HOH484 2.1 14.7 1.0 O B:HOH382 2.2 22.3 1.0 CB B:THR120 3.1 18.9 1.0 PB B:ADP500 3.2 19.3 1.0 O1B B:ADP500 3.4 18.7 1.0 O B:THR224 3.7 28.0 1.0 N B:THR120 3.9 18.6 1.0 OD2 B:ASP258 4.0 18.8 1.0 CG2 B:THR120 4.1 17.2 1.0 CA B:THR120 4.1 18.1 1.0 O1A B:ADP500 4.1 24.5 1.0 O3A B:ADP500 4.2 19.2 1.0 OD1 B:ASP258 4.3 15.4 1.0 O B:HOH365 4.3 14.0 1.0 O3B B:ADP500 4.3 18.0 1.0 O B:HOH362 4.5 14.8 1.0 NH1 B:ARG214 4.6 13.3 1.0 PA B:ADP500 4.6 22.1 1.0 CG B:ASP258 4.6 19.1 1.0 O B:HOH360 4.8 19.6 1.0 CB B:LYS119 4.8 17.5 1.0 O2A B:ADP500 4.8 21.7 1.0 NH2 B:ARG214 4.9 16.0 1.0 C B:THR224 4.9 28.4 1.0 CE B:LYS119 4.9 18.1 1.0 C B:LYS119 5.0 18.4 1.0

C.Peters, K.Brejc, L.Belmont, A.J.Bodey, Y.Lee, M.Yu, J.Guo, R.Sakowicz, J.Hartman, C.A.Moores. Insight Into the Molecular Mechanism of the Multitasking Kinesin-8 Motor. Embo J. V. 29 3437 2010.
ISSN: ISSN 0261-4189
PubMed: 20818331
DOI: 10.1038/EMBOJ.2010.220