Magnesium in PDB 6tvo: Human CRM1-Rangtp in Complex with Leptomycin B

The structure of Human CRM1-Rangtp in Complex with Leptomycin B, PDB code: 6tvo was solved by A.Shaikhqasem, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.91 / 3.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	122.290, 151.330, 234.843, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 23.5

The binding sites of Magnesium atom in the Human CRM1-Rangtp in Complex with Leptomycin B (pdb code 6tvo). 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 Human CRM1-Rangtp in Complex with Leptomycin B, PDB code: 6tvo:

Magnesium binding site 1 out of 1 in the Human CRM1-Rangtp in Complex with Leptomycin B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human CRM1-Rangtp in Complex with Leptomycin B within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:0.8 occ:1.00 O1B B:GTP201 2.0 0.4 1.0 OG1 B:THR42 2.0 0.2 1.0 OG1 B:THR24 2.0 92.9 1.0 O3G B:GTP201 2.1 1.0 1.0 CB B:THR24 2.7 92.6 1.0 CB B:THR42 2.8 99.7 1.0 PB B:GTP201 3.3 0.5 1.0 PG B:GTP201 3.3 0.8 1.0 O3B B:GTP201 3.5 0.3 1.0 CG2 B:THR24 3.8 98.3 1.0 CA B:THR24 3.8 95.3 1.0 N B:THR24 3.8 91.6 1.0 CG2 B:THR42 3.8 0.2 1.0 N B:THR42 3.8 0.1 1.0 OD2 B:ASP65 3.8 96.7 1.0 CA B:THR42 3.9 0.7 1.0 O1A B:GTP201 4.0 0.9 1.0 O1G B:GTP201 4.2 0.6 1.0 O3A B:GTP201 4.2 94.6 1.0 O2B B:GTP201 4.4 0.8 1.0 O2G B:GTP201 4.4 0.7 1.0 PA B:GTP201 4.6 0.5 1.0 CG B:ASP65 4.6 94.0 1.0 O B:VAL40 4.6 0.4 1.0 O B:THR66 4.8 94.7 1.0 C B:ALA41 4.9 94.3 1.0 C B:LYS23 4.9 90.5 1.0 OD1 B:ASP65 5.0 99.1 1.0 O2A B:GTP201 5.0 98.2 1.0

A.Shaikhqasem, A.Dickmanns, P.Neumann, R.Ficner. Characterization of Inhibition Reveals Distinctive Properties For Human Andsaccharomyces CEREVISIAECRM1. J.Med.Chem. V. 63 7545 2020.
ISSN: ISSN 0022-2623
PubMed: 32585100
DOI: 10.1021/ACS.JMEDCHEM.0C00143