Magnesium in PDB 6zwb: Z-SBTUB3 Photoswitch Bound to Tubulin-Darpin D1 Complex

The structure of Z-SBTUB3 Photoswitch Bound to Tubulin-Darpin D1 Complex, PDB code: 6zwb was solved by M.Wranik, T.Weinert, N.Olieric, L.Gao, Y.C.M.Kraus, R.Bingham, E.Ntouliou, J.Ahlfeld, O.Thorn-Seshold, M.O.Steinmetz, J.Standfuss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.04 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.869, 91.724, 83.006, 90.00, 97.06, 90.00
R / Rfree (%)	18.5 / 23.4

The binding sites of Magnesium atom in the Z-SBTUB3 Photoswitch Bound to Tubulin-Darpin D1 Complex (pdb code 6zwb). 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 Z-SBTUB3 Photoswitch Bound to Tubulin-Darpin D1 Complex, PDB code: 6zwb:

Magnesium binding site 1 out of 1 in the Z-SBTUB3 Photoswitch Bound to Tubulin-Darpin D1 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Z-SBTUB3 Photoswitch Bound to Tubulin-Darpin D1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:28.9 occ:1.00 O A:HOH705 2.1 25.0 1.0 O A:HOH628 2.1 17.9 1.0 O2B A:GTP501 2.1 21.8 1.0 O A:HOH776 2.1 22.7 1.0 O A:HOH826 2.1 25.6 1.0 O1G A:GTP501 2.2 19.8 1.0 PB A:GTP501 3.2 69.5 1.0 PG A:GTP501 3.3 27.6 1.0 HB2 A:GLN11 3.4 16.7 1.0 HZ1 B:LYS254 3.5 79.0 1.0 H A:GLN11 3.6 15.3 1.0 O3A A:GTP501 3.6 30.7 1.0 O2G A:GTP501 3.7 21.9 1.0 O3B A:GTP501 3.7 30.7 1.0 HG2 A:GLU71 3.9 59.3 1.0 HB2 A:ASP98 4.0 36.8 1.0 HB3 A:GLN11 4.0 16.7 1.0 OD1 A:ASP69 4.1 25.8 1.0 CB A:GLN11 4.1 13.8 1.0 HG3 A:GLU71 4.1 59.3 1.0 OD2 A:ASP69 4.2 20.9 1.0 HE21 A:GLN11 4.3 32.0 1.0 OE1 A:GLU71 4.3 46.5 1.0 OD2 A:ASP98 4.4 28.4 1.0 N A:GLN11 4.4 12.6 1.0 NZ B:LYS254 4.4 65.6 1.0 CG A:GLU71 4.4 49.2 1.0 O1B A:GTP501 4.5 23.2 1.0 HB3 A:ASP98 4.5 36.8 1.0 HZ2 B:LYS254 4.6 79.0 1.0 O3G A:GTP501 4.6 16.9 1.0 CG A:ASP69 4.6 24.7 1.0 HG1 A:THR145 4.6 21.6 1.0 O2A A:GTP501 4.6 23.1 1.0 CB A:ASP98 4.7 30.4 1.0 NE2 A:GLN11 4.7 26.4 1.0 PA A:GTP501 4.7 30.7 1.0 HZ3 B:LYS254 4.7 79.0 1.0 HA2 A:GLY10 4.8 17.8 1.0 CD A:GLU71 4.8 52.7 1.0 CA A:GLN11 4.8 14.3 1.0 HB A:THR145 4.8 17.2 1.0 HE22 A:GLN11 5.0 32.0 1.0 OG1 A:THR145 5.0 17.8 1.0

L.Gao, J.C.M.Meiring, Y.Kraus, M.Wranik, T.Weinert, S.D.Pritzl, R.Bingham, E.Ntouliou, K.I.Jansen, N.Olieric, J.Standfuss, L.C.Kapitein, T.Lohmuller, J.Ahlfeld, A.Akhmanova, M.O.Steinmetz, O.Thorn-Seshold. A Robust, Gfp-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control Over the Microtubule Cytoskeleton. Cell Chem Biol 2020.
ISSN: ESSN 2451-9456
PubMed: 33275880
DOI: 10.1016/J.CHEMBIOL.2020.11.007