Magnesium in PDB 6m60: Plumbagin in Complex with CRM1#-Ran-RANBP1

The structure of Plumbagin in Complex with CRM1#-Ran-RANBP1, PDB code: 6m60 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)	31.72 / 2.17
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.59, 105.59, 305.04, 90, 90, 90
R / Rfree (%)	18.1 / 21.3

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

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Plumbagin in Complex with CRM1#-Ran-RANBP1 (pdb code 6m60). 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 Plumbagin in Complex with CRM1#-Ran-RANBP1, PDB code: 6m60:

Magnesium binding site 1 out of 1 in the Plumbagin 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 Plumbagin in Complex with CRM1#-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:44.1 occ:1.00 O2G A:GTP305 1.9 46.3 1.0 O2B A:GTP305 2.0 42.8 1.0 OG1 A:THR42 2.0 45.7 1.0 O A:HOH404 2.1 45.5 1.0 OG1 A:THR24 2.1 42.9 1.0 O A:HOH409 2.1 41.9 1.0 CB A:THR42 3.0 48.8 1.0 PG A:GTP305 3.1 46.4 1.0 CB A:THR24 3.2 43.4 1.0 PB A:GTP305 3.2 43.0 1.0 O3B A:GTP305 3.4 40.5 1.0 N A:THR42 3.7 48.3 1.0 O3G A:GTP305 3.8 43.9 1.0 CA A:THR42 3.9 49.0 1.0 O2A A:GTP305 3.9 45.2 1.0 N A:THR24 4.0 43.5 1.0 OD2 A:ASP65 4.1 56.5 1.0 OD1 A:ASP65 4.1 50.5 1.0 CG2 A:THR42 4.1 50.9 1.0 CA A:THR24 4.1 41.0 1.0 O3A A:GTP305 4.2 42.0 1.0 CG2 A:THR24 4.2 45.0 1.0 O1B A:GTP305 4.3 48.1 1.0 O1G A:GTP305 4.3 44.0 1.0 O A:HOH411 4.3 51.3 1.0 CG A:ASP65 4.5 53.1 1.0 PA A:GTP305 4.5 47.1 1.0 O A:THR66 4.6 46.1 1.0 O A:VAL40 4.6 51.3 1.0 C A:ALA41 4.7 49.5 1.0 CB A:LYS23 4.9 44.0 1.0 O1A A:GTP305 5.0 44.4 1.0 O A:HOH449 5.0 58.3 1.0

Y.Lei, Y.Li, Y.Tan, Z.Qian, Q.Zhou, D.Jia, Q.Sun. Novel Mechanistic Observations and Nes-Binding Groove Features Revealed By the CRM1 Inhibitors Plumbagin and Oridonin. J.Nat.Prod. V. 84 1478 2021.
ISSN: ESSN 1520-6025
PubMed: 33890470
DOI: 10.1021/ACS.JNATPROD.0C01231