Magnesium in PDB 8cla: Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex

The structure of Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex, PDB code: 8cla was solved by M.Wranik, Q.Bertrand, M.W.Kepa, T.Weinert, M.Steinmetz, J.Standfuss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.23, 90.94, 82.43, 90, 96.74, 90
R / Rfree (%)	15.5 / 20.6

The structure of Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex (pdb code 8cla). 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-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex, PDB code: 8cla:

Magnesium binding site 1 out of 1 in the Z-SBTUBA4 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-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:10.1 occ:1.00 O A:HOH789 2.2 12.0 1.0 O1G A:GTP501 2.2 15.2 1.0 O A:HOH611 2.2 12.7 1.0 O A:HOH621 2.2 12.6 1.0 O2B A:GTP501 2.3 14.1 1.0 O A:HOH610 2.3 14.4 1.0 HZ2 B:LYS254 3.0 21.7 1.0 PG A:GTP501 3.4 15.4 1.0 PB A:GTP501 3.4 11.7 1.0 HG2 A:GLU71 3.4 20.9 1.0 HB2 A:GLN11 3.4 9.7 1.0 OE2 A:GLU71 3.6 22.8 1.0 H A:GLN11 3.7 11.8 1.0 O3B A:GTP501 3.7 13.9 1.0 HB3 A:GLN11 3.8 9.7 1.0 HB2 A:ASP98 3.8 13.3 1.0 NZ B:LYS254 3.8 21.7 1.0 O3A A:GTP501 3.8 11.2 1.0 O2G A:GTP501 3.8 13.2 1.0 HG3 A:GLU71 3.9 20.9 1.0 HZ3 B:LYS254 4.0 21.7 1.0 CG A:GLU71 4.0 20.9 1.0 CB A:GLN11 4.1 9.7 1.0 OD2 A:ASP98 4.1 20.2 1.0 HZ1 B:LYS254 4.1 21.7 1.0 OD2 A:ASP69 4.1 16.1 1.0 OD1 A:ASP69 4.1 14.7 1.0 HB3 A:ASP98 4.3 13.3 1.0 CD A:GLU71 4.3 26.2 1.0 O A:HOH818 4.4 46.2 1.0 N A:GLN11 4.4 11.8 1.0 CB A:ASP98 4.4 13.3 1.0 CG A:ASP69 4.5 16.6 1.0 OE1 A:GLN11 4.6 20.0 1.0 O3G A:GTP501 4.6 14.4 1.0 O2A A:GTP501 4.6 18.0 1.0 CG A:ASP98 4.6 11.3 1.0 HE3 B:LYS254 4.7 24.2 1.0 O1B A:GTP501 4.7 13.3 1.0 HG1 A:THR145 4.8 12.4 1.0 PA A:GTP501 4.8 14.1 1.0 CA A:GLN11 4.8 10.0 1.0 HG21 A:VAL74 4.8 27.7 1.0 HB A:THR145 4.9 14.0 1.0 O B:HOH664 4.9 46.9 1.0 HA2 A:GLY10 4.9 11.4 1.0 CE B:LYS254 4.9 24.2 1.0

M.Wranik, M.W.Kepa, E.V.Beale, D.James, Q.Bertrand, T.Weinert, A.Furrer, H.Glover, D.Gashi, M.Carrillo, Y.Kondo, R.T.Stipp, G.Khusainov, K.Nass, D.Ozerov, C.Cirelli, P.J.M.Johnson, F.Dworkowski, J.H.Beale, S.Stubbs, M.Schneider, K.Krauskopf, L.Gao, O.Thorn-Seshold, C.Bostedt, C.Bacellar, M.O.Steinmetz, C.Milne, J.Standfuss. A Multi-Reservoir Extruder For Time-Resolved Serial Protein Crystallography and Compound Screening at X-Ray Free Electron Lasers To Be Published.