Sodium in PDB 7ypz: Zafirlukast in Complex with CRM1-Ran-RANBP1

The structure of Zafirlukast in Complex with CRM1-Ran-RANBP1, PDB code: 7ypz 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)	50.01 / 2.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.782, 105.782, 304.905, 90, 90, 90
R / Rfree (%)	18.3 / 21.6

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

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	4 atoms

The binding sites of Sodium atom in the Zafirlukast in Complex with CRM1-Ran-RANBP1 (pdb code 7ypz). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Zafirlukast in Complex with CRM1-Ran-RANBP1, PDB code: 7ypz:

Sodium binding site 1 out of 1 in the Zafirlukast in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Zafirlukast in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Na1104 b:99.3 occ:1.00 O C:TRP48 2.6 66.8 1.0 O C:DMS1111 2.7 123.4 1.0 O C:GLU49 3.0 75.9 1.0 N C:ASP52 3.2 74.9 1.0 C C:GLU49 3.3 73.8 1.0 O C:HOH1428 3.3 72.7 1.0 N C:VAL51 3.4 68.6 1.0 S C:DMS1111 3.5 123.7 1.0 CA C:GLU49 3.6 75.3 1.0 CB C:ASP52 3.7 84.0 1.0 C C:TRP48 3.7 69.2 1.0 CB C:VAL51 3.8 66.3 1.0 CA C:VAL51 3.9 68.7 1.0 N C:LYS50 4.0 72.8 1.0 C C:VAL51 4.0 70.0 1.0 CA C:ASP52 4.0 78.5 1.0 N C:GLU49 4.1 72.1 1.0 C C:LYS50 4.2 70.9 1.0 CE3 C:TRP48 4.5 72.8 1.0 CA C:LYS50 4.6 73.9 1.0 C1 C:DMS1111 4.7 121.2 1.0 CG1 C:VAL51 4.7 65.1 1.0 CG2 C:VAL51 4.7 64.4 1.0 CZ3 C:TRP48 4.9 73.2 1.0 C2 C:DMS1111 4.9 122.2 1.0 CB C:GLU49 5.0 77.4 1.0

W.Huang, J.Wang, X.Shen, Y.Lei, X.Chen, D.Jia, X.Zhang, Q.Sun. Searching For Novel Noncovalent Nuclear Export Inhibitors Through A Drug Repurposing Approach. J.Med.Chem. V. 66 1574 2023.
ISSN: ISSN 0022-2623
DOI: 10.1021/ACS.JMEDCHEM.2C01772