Magnesium in PDB 4haw: Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1, PDB code: 4haw 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 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.574, 106.574, 306.966, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.9

The structure of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-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(K548A)-Ran-RANBP1 (pdb code 4haw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1, PDB code: 4haw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-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(K548A)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:20.3 occ:1.00 O2G A:GNP301 1.9 17.5 1.0 O1B A:GNP301 2.1 19.4 1.0 OG1 A:THR42 2.1 17.3 1.0 OG1 A:THR24 2.1 17.9 1.0 O A:HOH586 2.1 30.1 1.0 O A:HOH587 2.1 27.9 1.0 PG A:GNP301 3.1 19.2 1.0 CB A:THR42 3.1 18.8 1.0 CB A:THR24 3.2 18.6 1.0 PB A:GNP301 3.2 19.5 1.0 N3B A:GNP301 3.4 18.9 1.0 N A:THR42 3.7 18.9 1.0 O3G A:GNP301 3.9 19.7 1.0 N A:THR24 4.0 19.0 1.0 CA A:THR42 4.0 20.1 1.0 OD2 A:ASP65 4.0 25.8 1.0 O1A A:GNP301 4.2 20.5 1.0 CA A:THR24 4.2 18.9 1.0 CG2 A:THR24 4.2 19.1 1.0 O A:HOH405 4.3 37.4 1.0 OD1 A:ASP65 4.3 25.6 1.0 O2B A:GNP301 4.3 18.9 1.0 CG2 A:THR42 4.3 16.9 1.0 O1G A:GNP301 4.3 18.9 1.0 O3A A:GNP301 4.4 19.6 1.0 CG A:ASP65 4.6 23.2 1.0 PA A:GNP301 4.6 20.2 1.0 O A:VAL40 4.7 19.1 1.0 O A:THR66 4.7 18.8 1.0 O2A A:GNP301 4.7 20.2 1.0 CB A:LYS23 4.8 18.9 1.0 C A:ALA41 4.8 21.4 1.0 CE A:LYS23 5.0 20.6 1.0 NZ A:LYS23 5.0 18.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of CRM1 Inhibitor Leptomycin B in Complex with CRM1(K548A)-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1108 b:81.4 occ:1.00 O C:HOH2078 2.1 63.8 1.0 O C:HOH2117 2.5 48.4 1.0 O C:HOH2128 2.7 56.5 1.0 O C:HOH2148 3.1 55.1 1.0 O C:ALA685 3.9 61.5 1.0 O C:SER683 4.6 60.3 1.0 C C:ALA685 4.8 64.3 1.0 N C:LEU691 4.8 56.9 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