Magnesium in PDB 4gmx: Crystal Structure of KPT185 in Complex with CRM1-Ran-RANBP1

The structure of Crystal Structure of KPT185 in Complex with CRM1-Ran-RANBP1, PDB code: 4gmx 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 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.488, 106.488, 306.796, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 19.7

The structure of Crystal Structure of KPT185 in Complex with CRM1-Ran-RANBP1 also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Magnesium atom in the Crystal Structure of KPT185 in Complex with CRM1-Ran-RANBP1 (pdb code 4gmx). 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 KPT185 in Complex with CRM1-Ran-RANBP1, PDB code: 4gmx:

Magnesium binding site 1 out of 1 in the Crystal Structure of KPT185 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 KPT185 in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:25.2 occ:1.00 O2G A:GNP301 1.9 24.7 1.0 O1B A:GNP301 2.0 24.3 1.0 O A:HOH582 2.0 35.7 1.0 O A:HOH583 2.1 37.7 1.0 OG1 A:THR42 2.2 25.0 1.0 OG1 A:THR24 2.2 26.3 1.0 PG A:GNP301 3.1 27.4 1.0 PB A:GNP301 3.2 26.7 1.0 CB A:THR24 3.2 26.4 1.0 CB A:THR42 3.3 25.9 1.0 N3B A:GNP301 3.4 27.1 1.0 N A:THR42 3.8 28.2 1.0 N A:THR24 3.9 25.9 1.0 O3G A:GNP301 3.9 26.8 1.0 O1A A:GNP301 4.1 28.7 1.0 CA A:THR42 4.1 26.6 1.0 CA A:THR24 4.1 25.5 1.0 OD2 A:ASP65 4.1 31.8 1.0 O2B A:GNP301 4.3 26.7 1.0 OD1 A:ASP65 4.3 34.1 1.0 O A:HOH406 4.3 43.5 1.0 O3A A:GNP301 4.3 29.2 1.0 CG2 A:THR24 4.3 26.6 1.0 O1G A:GNP301 4.3 29.3 1.0 CG2 A:THR42 4.4 25.2 1.0 PA A:GNP301 4.5 28.6 1.0 O2A A:GNP301 4.5 29.0 1.0 CG A:ASP65 4.6 30.8 1.0 O A:VAL40 4.7 27.3 1.0 CB A:LYS23 4.7 27.7 1.0 O A:THR66 4.7 24.8 1.0 C A:ALA41 4.8 28.5 1.0 C A:LYS23 5.0 27.8 1.0 CE A:LYS23 5.0 27.7 1.0

R.Lapalombella, Q.Sun, K.Williams, L.Tangeman, S.Jha, Y.Zhong, V.Goettl, E.Mahoney, C.Berglund, S.Gupta, A.Farmer, R.Mani, A.J.Johnson, D.Lucas, X.Mo, D.Daelemans, V.Sandanayaka, S.Shechter, D.Mccauley, S.Shacham, M.Kauffman, Y.M.Chook, J.C.Byrd. Selective Inhibitors of Nuclear Export Show That CRM1/XPO1 Is A Target in Chronic Lymphocytic Leukemia. Blood V. 120 4621 2012.
ISSN: ISSN 0006-4971
PubMed: 23034282
DOI: 10.1182/BLOOD-2012-05-429506