Magnesium in PDB 8t6f: Crystal Structure of Human Mbp-Myeloid Cell Leukemia 1 (Mcl-1) in Complex with BRD810 Inhibitor

The structure of Crystal Structure of Human Mbp-Myeloid Cell Leukemia 1 (Mcl-1) in Complex with BRD810 Inhibitor, PDB code: 8t6f was solved by G.Poncet-Montange, C.T.Lemke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.86 / 1.56
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.301, 136.957, 38.257, 90, 90, 90
R / Rfree (%)	18.8 / 21.8

The structure of Crystal Structure of Human Mbp-Myeloid Cell Leukemia 1 (Mcl-1) in Complex with BRD810 Inhibitor also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Crystal Structure of Human Mbp-Myeloid Cell Leukemia 1 (Mcl-1) in Complex with BRD810 Inhibitor (pdb code 8t6f). 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 Human Mbp-Myeloid Cell Leukemia 1 (Mcl-1) in Complex with BRD810 Inhibitor, PDB code: 8t6f:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human Mbp-Myeloid Cell Leukemia 1 (Mcl-1) in Complex with BRD810 Inhibitor


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 Human Mbp-Myeloid Cell Leukemia 1 (Mcl-1) in Complex with BRD810 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:40.7 occ:1.00 O A:HOH654 2.0 37.3 1.0 O A:HOH728 2.0 34.2 1.0 O A:HOH795 2.2 33.6 1.0 O A:HIS-157 2.2 24.0 1.0 ND1 A:HIS-157 2.4 30.1 1.0 CE1 A:HIS-157 3.2 26.4 1.0 C A:HIS-157 3.4 22.0 1.0 CG A:HIS-157 3.4 23.6 1.0 CB A:HIS-157 3.9 23.5 1.0 O A:HOH743 4.1 29.6 1.0 CA A:HIS-157 4.2 20.7 1.0 NE2 A:HIS-157 4.3 28.2 1.0 OD1 A:ASP-155 4.3 33.2 0.4 N A:PRO-156 4.3 21.6 1.0 O A:HOH729 4.4 27.8 1.0 CA A:PRO-156 4.4 23.5 1.0 C A:PRO-156 4.4 27.2 1.0 CD2 A:HIS-157 4.5 22.0 1.0 N A:ASP-155 4.5 26.4 0.6 N A:ASP-155 4.5 26.4 0.4 N A:HIS-157 4.8 23.7 1.0 O A:PRO-156 4.9 25.0 1.0

U.Rauh, G.Wei, M.Serrano-Wu, G.Kosmidis, S.Kaulfuss, F.Siegel, K.Thede, J.Mcfarland, G.Poncet-Montange, T.L.Lemke, N.Werbeck, K.Nowak-Reppel, S.Pilari, S.Menz, M.Ocker, V.Kaushik, B.Hubbard, K.Ziegelbauer, T.R.Golub. BRD810 Is A Novel Highly Selective MCL1 Inhibitor with Optimized in Vivo Clearance and Robust Efficacy in Solid and Hematological Tumor Models To Be Published.