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

Protein crystallography data

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

Other elements in 7ypz:

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

Sodium (Na) 1 atom
Chlorine (Cl) 4 atoms

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 1 in 7ypz

Go back to Magnesium Binding Sites List in 7ypz
Magnesium 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 Magnesium with other atoms in the Mg binding site number 1 of Zafirlukast in Complex with CRM1-Ran-RANBP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:40.1
occ:1.00
O2G A:GTP307 2.0 20.0 1.0
OG1 A:THR24 2.0 38.6 1.0
O2B A:GTP307 2.1 20.0 1.0
O A:HOH408 2.1 36.4 1.0
OG1 A:THR42 2.1 41.9 1.0
O A:HOH421 2.1 39.3 1.0
CB A:THR24 3.1 39.9 1.0
CB A:THR42 3.1 43.9 1.0
PG A:GTP307 3.2 20.0 1.0
PB A:GTP307 3.2 20.0 1.0
O3B A:GTP307 3.4 20.0 1.0
N A:THR42 3.7 43.2 1.0
O3G A:GTP307 3.9 20.0 1.0
N A:THR24 3.9 38.2 1.0
O2A A:GTP307 3.9 20.0 1.0
CA A:THR42 4.0 44.8 1.0
OD1 A:ASP65 4.1 46.4 1.0
OD2 A:ASP65 4.1 48.8 1.0
CA A:THR24 4.1 39.2 1.0
CG2 A:THR24 4.1 41.2 1.0
O A:HOH417 4.2 48.9 1.0
O3A A:GTP307 4.2 20.0 1.0
CG2 A:THR42 4.2 44.0 1.0
O1B A:GTP307 4.3 20.0 1.0
O1G A:GTP307 4.3 20.0 1.0
CG A:ASP65 4.4 46.4 1.0
PA A:GTP307 4.5 20.0 1.0
O A:THR66 4.6 38.8 1.0
O A:VAL40 4.7 47.7 1.0
CB A:LYS23 4.8 37.8 1.0
C A:ALA41 4.8 44.9 1.0
O1A A:GTP307 4.9 20.0 1.0
C A:LYS23 5.0 37.5 1.0

Reference:

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
Page generated: Thu Oct 3 15:34:33 2024

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