Magnesium in PDB 6lq9: S109 in Complex with CRM1-Ran-RANBP1

The structure of S109 in Complex with CRM1-Ran-RANBP1, PDB code: 6lq9 was solved by Q.Sun, Y.Lei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.71 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.105, 105.105, 303.825, 90, 90, 90
R / Rfree (%)	19 / 22.8

The structure of S109 in Complex with CRM1-Ran-RANBP1 also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Fluorine	(F)	3 atoms

The binding sites of Magnesium atom in the S109 in Complex with CRM1-Ran-RANBP1 (pdb code 6lq9). 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 S109 in Complex with CRM1-Ran-RANBP1, PDB code: 6lq9:

Magnesium binding site 1 out of 1 in the S109 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of S109 in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:48.6 occ:1.00 O2G A:GTP301 1.9 48.5 1.0 O2B A:GTP301 2.0 45.0 1.0 OG1 A:THR24 2.1 46.6 1.0 O A:HOH415 2.1 48.5 1.0 OG1 A:THR42 2.1 51.4 1.0 O A:HOH407 2.1 49.7 1.0 CB A:THR42 3.1 52.8 1.0 PG A:GTP301 3.1 49.3 1.0 PB A:GTP301 3.2 45.2 1.0 CB A:THR24 3.2 47.2 1.0 O3B A:GTP301 3.4 46.4 1.0 N A:THR42 3.7 54.2 1.0 O3G A:GTP301 3.8 48.6 1.0 CA A:THR42 4.0 53.9 1.0 O2A A:GTP301 4.0 44.6 1.0 N A:THR24 4.0 43.8 1.0 CG2 A:THR24 4.2 49.2 1.0 OD1 A:ASP65 4.2 52.2 1.0 CA A:THR24 4.2 45.1 1.0 O3A A:GTP301 4.2 46.0 1.0 OD2 A:ASP65 4.2 52.3 1.0 CG2 A:THR42 4.3 54.7 1.0 O1B A:GTP301 4.3 44.1 1.0 O1G A:GTP301 4.4 48.2 1.0 O A:HOH434 4.4 47.4 1.0 PA A:GTP301 4.5 45.2 1.0 O A:VAL40 4.6 53.6 1.0 CG A:ASP65 4.6 52.3 1.0 O A:THR66 4.6 46.8 1.0 C A:ALA41 4.7 56.0 1.0 O1A A:GTP301 4.8 42.6 1.0 CB A:LYS23 4.9 42.3 1.0 CA A:ALA41 5.0 55.3 1.0 NZ A:LYS23 5.0 44.8 1.0

Y.Lei, Q.An, X.F.Shen, M.Sui, C.Li, D.Jia, Y.Luo, Q.Sun. Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1. J.Med.Chem. V. 64 6596 2021.
ISSN: ISSN 0022-2623
PubMed: 33974430
DOI: 10.1021/ACS.JMEDCHEM.0C01675