Magnesium in PDB 6xjr: Crystal Structure of Kpt-185 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq)

The structure of Crystal Structure of Kpt-185 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq), PDB code: 6xjr was solved by J.M.Baumhardt, Y.M.Chook, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.25 / 1.94
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.992, 105.992, 306.033, 90, 90, 90
R / Rfree (%)	19.4 / 22.6

The structure of Crystal Structure of Kpt-185 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Kpt-185 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) (pdb code 6xjr). 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 Kpt-185 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq), PDB code: 6xjr:

Magnesium binding site 1 out of 1 in the Crystal Structure of Kpt-185 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq)


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 Kpt-185 Bound to CRM1 (E582K, 537-Dltvk-541 to Glceq) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:18.0 occ:1.00 O1B A:GNP301 2.1 12.3 1.0 O A:HOH439 2.1 20.2 1.0 O A:HOH402 2.2 15.5 1.0 O3G A:GNP301 2.2 7.8 1.0 OG1 A:THR24 2.3 13.0 1.0 OG1 A:THR42 2.3 16.9 1.0 HG1 A:THR24 2.9 15.7 1.0 HG1 A:THR42 2.9 20.4 1.0 HB A:THR42 3.0 12.0 1.0 H A:THR42 3.0 14.4 1.0 HB A:THR24 3.1 13.4 1.0 PG A:GNP301 3.1 8.0 1.0 CB A:THR42 3.2 10.3 1.0 N3B A:GNP301 3.2 8.3 1.0 PB A:GNP301 3.2 8.9 1.0 CB A:THR24 3.2 11.1 1.0 H A:THR24 3.3 11.8 1.0 N A:THR42 3.7 11.9 1.0 O1A A:GNP301 3.7 13.9 1.0 O2G A:GNP301 3.8 8.0 1.0 HNB3 A:GNP301 3.8 10.1 1.0 N A:THR24 4.0 10.2 1.0 CA A:THR42 4.0 17.1 1.0 HB2 A:LYS23 4.0 17.6 1.0 HE2 A:LYS23 4.1 11.7 1.0 OD2 A:ASP65 4.2 17.2 1.0 HG21 A:THR24 4.2 22.6 1.0 CA A:THR24 4.2 11.0 1.0 O2B A:GNP301 4.2 8.3 1.0 HG21 A:THR42 4.3 16.0 1.0 HA A:ALA41 4.3 23.8 1.0 CG2 A:THR24 4.3 18.8 1.0 O3A A:GNP301 4.3 8.1 1.0 CG2 A:THR42 4.4 13.3 1.0 OD1 A:ASP65 4.4 18.3 1.0 O A:HOH435 4.4 27.1 1.0 HA A:THR42 4.4 20.6 1.0 HE1 A:TYR39 4.4 22.0 1.0 O1G A:GNP301 4.5 8.0 1.0 PA A:GNP301 4.5 8.6 1.0 HA A:ALA67 4.5 15.8 1.0 HA A:THR24 4.6 13.2 1.0 O A:VAL40 4.6 14.0 1.0 CG A:ASP65 4.7 15.5 1.0 C A:ALA41 4.7 22.2 1.0 O A:THR66 4.7 17.6 1.0 HZ1 A:LYS23 4.7 17.1 1.0 HG23 A:THR24 4.8 22.6 1.0 O2A A:GNP301 4.8 7.3 1.0 HG23 A:THR42 4.8 16.0 1.0 HZ3 A:LYS23 4.9 17.1 1.0 CB A:LYS23 4.9 14.6 1.0 CE A:LYS23 5.0 10.1 1.0

J.S.Walker, Z.A.Hing, B.Harrington, J.Baumhardt, H.G.Ozer, A.Lehman, B.Giacopelli, L.Beaver, K.Williams, J.N.Skinner, C.B.Cempre, Q.Sun, S.Shacham, B.R.Stromberg, M.K.Summers, L.V.Abruzzo, L.Rassenti, T.J.Kipps, S.Parikh, N.E.Kay, K.A.Rogers, J.A.Woyach, V.Coppola, Y.M.Chook, C.Oakes, J.C.Byrd, R.Lapalombella. Recurrent XPO1 Mutations Alter Pathogenesis of Chronic Lymphocytic Leukemia. J Hematol Oncol V. 14 17 2021.
ISSN: ISSN 1756-8722
PubMed: 33451349
DOI: 10.1186/S13045-021-01032-2