Magnesium in PDB 5jlj: Crystal Structure of KPT8602 in Complex with CRM1-Ran-RANBP1

The structure of Crystal Structure of KPT8602 in Complex with CRM1-Ran-RANBP1, PDB code: 5jlj was solved by H.Y.Fung, Y.M.Chook, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.929, 105.929, 305.135, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.2

The structure of Crystal Structure of KPT8602 in Complex with CRM1-Ran-RANBP1 also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of KPT8602 in Complex with CRM1-Ran-RANBP1 (pdb code 5jlj). 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 Crystal Structure of KPT8602 in Complex with CRM1-Ran-RANBP1, PDB code: 5jlj:

Magnesium binding site 1 out of 1 in the Crystal Structure of KPT8602 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 Crystal Structure of KPT8602 in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:34.2 occ:1.00 O3G A:GNP301 1.9 36.1 1.0 O A:HOH407 2.1 19.8 1.0 OG1 A:THR24 2.1 30.3 1.0 O A:HOH403 2.1 32.2 1.0 O1B A:GNP301 2.2 31.9 1.0 OG1 A:THR42 2.2 31.4 1.0 CB A:THR24 3.1 30.1 1.0 CB A:THR42 3.2 32.9 1.0 PG A:GNP301 3.3 36.6 1.0 PB A:GNP301 3.4 33.0 1.0 N3B A:GNP301 3.6 41.3 1.0 N A:THR42 3.7 33.9 1.0 N A:THR24 3.9 27.8 1.0 O1A A:GNP301 4.0 31.7 1.0 CA A:THR42 4.0 35.5 1.0 OD2 A:ASP65 4.1 36.7 1.0 CG2 A:THR24 4.1 30.8 1.0 O2G A:GNP301 4.1 35.3 1.0 CA A:THR24 4.1 28.9 1.0 O A:HOH408 4.2 28.6 1.0 OD1 A:ASP65 4.3 35.5 1.0 CG2 A:THR42 4.4 34.2 1.0 O1G A:GNP301 4.4 35.4 1.0 O A:VAL40 4.4 34.6 1.0 O3A A:GNP301 4.4 31.3 1.0 O2B A:GNP301 4.4 32.2 1.0 PA A:GNP301 4.5 30.4 1.0 O2A A:GNP301 4.5 31.8 1.0 CG A:ASP65 4.6 35.5 1.0 C A:ALA41 4.7 34.7 1.0 O A:THR66 4.8 28.2 1.0 NZ A:LYS23 4.8 33.8 1.0 CB A:LYS23 5.0 27.6 1.0

Z.A.Hing, H.Y.Fung, P.Ranganathan, S.Mitchell, D.El-Gamal, J.A.Woyach, K.Williams, V.M.Goettl, J.Smith, X.Yu, X.Meng, Q.Sun, T.Cagatay, A.M.Lehman, D.M.Lucas, E.Baloglu, S.Shacham, M.G.Kauffman, J.C.Byrd, Y.M.Chook, R.Garzon, R.Lapalombella. Next-Generation XPO1 Inhibitor Shows Improved Efficacy and in Vivo Tolerability in Hematological Malignancies. Leukemia V. 30 2364 2016.
ISSN: ESSN 1476-5551
PubMed: 27323910
DOI: 10.1038/LEU.2016.136