Magnesium in PDB 4hay: Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548E,K579Q)-Ran-RANBP1

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548E,K579Q)-Ran-RANBP1, PDB code: 4hay was solved by Q.Sun, Y.M.Chook, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.165, 106.165, 305.659, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548E,K579Q)-Ran-RANBP1 also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548E,K579Q)-Ran-RANBP1 (pdb code 4hay). 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 Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548E,K579Q)-Ran-RANBP1, PDB code: 4hay:

Magnesium binding site 1 out of 1 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548E,K579Q)-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548E,K579Q)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:46.5 occ:1.00 O2G A:GNP301 1.9 47.6 1.0 OG1 A:THR24 1.9 42.5 1.0 OG1 A:THR42 2.1 43.0 1.0 O A:HOH501 2.1 40.1 1.0 O1B A:GNP301 2.1 40.1 1.0 O A:HOH500 2.2 39.6 1.0 CB A:THR42 3.1 44.8 1.0 CB A:THR24 3.1 43.1 1.0 PG A:GNP301 3.2 42.6 1.0 PB A:GNP301 3.3 41.3 1.0 N3B A:GNP301 3.5 42.4 1.0 N A:THR42 3.7 47.8 1.0 O3G A:GNP301 3.9 44.0 1.0 CA A:THR42 3.9 45.1 1.0 OD2 A:ASP65 3.9 45.1 1.0 N A:THR24 4.0 39.5 1.0 CA A:THR24 4.1 40.2 1.0 O A:HOH405 4.1 48.7 1.0 CG2 A:THR24 4.2 41.9 1.0 O1A A:GNP301 4.2 40.9 1.0 CG2 A:THR42 4.3 43.1 1.0 O1G A:GNP301 4.3 44.6 1.0 O2B A:GNP301 4.3 41.8 1.0 OD1 A:ASP65 4.3 45.8 1.0 O3A A:GNP301 4.5 42.0 1.0 CG A:ASP65 4.5 45.7 1.0 O A:VAL40 4.6 46.1 1.0 O2A A:GNP301 4.6 40.9 1.0 PA A:GNP301 4.6 41.8 1.0 O A:THR66 4.7 43.5 1.0 C A:ALA41 4.7 47.3 1.0 CB A:LYS23 4.9 40.0 1.0 CE A:LYS23 4.9 42.5 1.0

Q.Sun, Y.P.Carrasco, Y.Hu, X.Guo, H.Mirzaei, J.Macmillan, Y.M.Chook. Nuclear Export Inhibition Through Covalent Conjugation and Hydrolysis of Leptomycin B By CRM1. Proc.Natl.Acad.Sci.Usa V. 110 1303 2013.
ISSN: ISSN 0027-8424
PubMed: 23297231
DOI: 10.1073/PNAS.1217203110