Magnesium in PDB 7cnd: Nci-1 in Complex with CRM1-Ran-RANBP1

The structure of Nci-1 in Complex with CRM1-Ran-RANBP1, PDB code: 7cnd 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)	37.56 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.333, 105.333, 304.205, 90, 90, 90
R / Rfree (%)	20.2 / 23.2

The structure of Nci-1 in Complex with CRM1-Ran-RANBP1 also contains other interesting chemical elements:

Chlorine	(Cl)	9 atoms
Fluorine	(F)	6 atoms

The binding sites of Magnesium atom in the Nci-1 in Complex with CRM1-Ran-RANBP1 (pdb code 7cnd). 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 Nci-1 in Complex with CRM1-Ran-RANBP1, PDB code: 7cnd:

Magnesium binding site 1 out of 1 in the Nci-1 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 Nci-1 in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:29.0 occ:1.00 O2G A:GTP302 2.0 29.3 1.0 OG1 A:THR24 2.0 29.2 1.0 O2B A:GTP302 2.1 27.2 1.0 OG1 A:THR42 2.1 29.7 1.0 O A:HOH437 2.1 27.5 1.0 O A:HOH408 2.2 26.9 1.0 CB A:THR24 3.1 30.4 1.0 CB A:THR42 3.2 31.7 1.0 PG A:GTP302 3.2 29.4 1.0 PB A:GTP302 3.3 28.3 1.0 O3B A:GTP302 3.5 27.7 1.0 N A:THR42 3.7 33.1 1.0 N A:THR24 3.9 28.4 1.0 O3G A:GTP302 3.9 26.7 1.0 CA A:THR42 4.0 32.9 1.0 CA A:THR24 4.1 29.4 1.0 O2A A:GTP302 4.1 30.3 1.0 OD2 A:ASP65 4.1 32.4 1.0 CG2 A:THR24 4.1 31.4 1.0 OD1 A:ASP65 4.1 31.9 1.0 O A:HOH411 4.2 39.6 1.0 O3A A:GTP302 4.3 28.8 1.0 CG2 A:THR42 4.3 31.7 1.0 O1B A:GTP302 4.4 27.0 1.0 O1G A:GTP302 4.4 28.9 1.0 CG A:ASP65 4.5 31.2 1.0 PA A:GTP302 4.5 30.1 1.0 O1A A:GTP302 4.7 29.1 1.0 O A:VAL40 4.7 34.5 1.0 O A:THR66 4.7 28.8 1.0 C A:ALA41 4.8 34.4 1.0 CB A:LYS23 4.8 28.6 1.0 C A:LYS23 5.0 28.4 1.0 NZ A:LYS23 5.0 30.8 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