Magnesium in PDB 6zwc: Z-SBTUB2 Photoswitch Bound to Tubulin-Darpin D1 Complex

The structure of Z-SBTUB2 Photoswitch Bound to Tubulin-Darpin D1 Complex, PDB code: 6zwc 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)	45.19 / 2.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.900, 91.850, 82.810, 90.00, 96.58, 90.00
R / Rfree (%)	22.5 / 28.2

The binding sites of Magnesium atom in the Z-SBTUB2 Photoswitch Bound to Tubulin-Darpin D1 Complex (pdb code 6zwc). 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-SBTUB2 Photoswitch Bound to Tubulin-Darpin D1 Complex, PDB code: 6zwc:

Magnesium binding site 1 out of 1 in the Z-SBTUB2 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-SBTUB2 Photoswitch Bound to Tubulin-Darpin D1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:20.5 occ:1.00 O1G A:GTP501 2.0 20.9 1.0 O A:HOH668 2.0 19.5 1.0 O2B A:GTP501 2.0 21.1 1.0 O A:HOH656 2.0 25.7 1.0 O A:HOH659 2.1 24.1 1.0 PG A:GTP501 3.0 14.3 1.0 PB A:GTP501 3.1 17.2 1.0 O3B A:GTP501 3.3 24.1 1.0 O2G A:GTP501 3.6 26.2 1.0 O3A A:GTP501 3.7 16.8 1.0 OD1 A:ASP69 4.1 25.8 1.0 O A:HOH643 4.1 50.2 1.0 NZ B:LYS254 4.2 47.9 1.0 CB A:GLN11 4.2 19.0 1.0 OD2 A:ASP69 4.2 18.8 1.0 OE1 A:GLU71 4.3 44.5 1.0 CG A:GLU71 4.3 31.0 1.0 O3G A:GTP501 4.3 16.6 1.0 N A:GLN11 4.3 13.1 1.0 O1B A:GTP501 4.4 22.7 1.0 CB A:ASP98 4.5 21.3 1.0 CG A:ASP69 4.6 21.5 1.0 O2A A:GTP501 4.6 20.7 1.0 PA A:GTP501 4.7 13.3 1.0 CD A:GLU71 4.7 36.9 1.0 OG1 A:THR145 4.8 22.8 1.0 CA A:GLN11 4.9 16.1 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