Magnesium in PDB 7alr: Crystal Structure of TD1-GATORBULIN1 Complex

The structure of Crystal Structure of TD1-GATORBULIN1 Complex, PDB code: 7alr was solved by M.A.Oliva, J.F.Diaz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.21 / 1.93
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.462, 91.292, 82.97, 90, 97.44, 90
R / Rfree (%)	16.8 / 20.4

The binding sites of Magnesium atom in the Crystal Structure of TD1-GATORBULIN1 Complex (pdb code 7alr). 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 TD1-GATORBULIN1 Complex, PDB code: 7alr:

Magnesium binding site 1 out of 1 in the Crystal Structure of TD1-GATORBULIN1 Complex


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 TD1-GATORBULIN1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:22.3 occ:1.00 O A:HOH619 2.1 18.4 1.0 O A:HOH626 2.1 18.7 1.0 O2B A:GTP502 2.1 20.2 1.0 O A:HOH733 2.1 19.8 1.0 O A:HOH693 2.2 20.0 1.0 O1G A:GTP502 2.2 20.3 1.0 HZ1 B:LYS254 3.2 27.6 1.0 PB A:GTP502 3.3 20.5 1.0 PG A:GTP502 3.3 18.9 1.0 HB2 A:GLN11 3.5 26.0 1.0 O3B A:GTP502 3.6 20.4 1.0 H A:GLN11 3.6 23.5 1.0 O2G A:GTP502 3.7 19.7 1.0 O3A A:GTP502 3.8 19.6 1.0 HG3 A:GLU71 3.9 31.5 1.0 HB2 A:ASP98 4.0 30.0 1.0 OD1 A:ASP69 4.0 21.7 1.0 HG2 A:GLU71 4.0 31.5 1.0 OE1 A:GLU71 4.0 30.6 1.0 NZ B:LYS254 4.0 23.0 1.0 HZ2 B:LYS254 4.1 27.6 1.0 OD2 A:ASP69 4.2 21.8 1.0 OD2 A:ASP98 4.2 24.9 1.0 HB3 A:GLN11 4.2 26.0 1.0 CB A:GLN11 4.2 21.7 1.0 HZ3 B:LYS254 4.3 27.6 1.0 CG A:GLU71 4.3 26.2 1.0 N A:GLN11 4.4 19.6 1.0 HB3 A:ASP98 4.4 30.0 1.0 CB A:ASP98 4.5 25.0 1.0 CG A:ASP69 4.5 22.5 1.0 O1A A:GTP502 4.5 22.6 1.0 O1B A:GTP502 4.5 18.4 1.0 O3G A:GTP502 4.6 19.9 1.0 O A:HOH656 4.6 25.3 1.0 CD A:GLU71 4.7 29.4 1.0 HA2 A:GLY10 4.7 23.4 1.0 HG1 A:THR145 4.8 25.4 1.0 CG A:ASP98 4.8 24.1 1.0 PA A:GTP502 4.8 22.5 1.0 HB A:THR145 4.8 26.5 1.0 O A:HOH762 4.9 34.0 1.0 CA A:GLN11 4.9 21.9 1.0 OE1 A:GLN11 5.0 23.5 1.0

M.A.Oliva, J.F.Diaz. Gatorbulin-1, A Distinct Cyclodepsipeptide Chemotype, Targets A Seventh Tubulin Pharmacological Site Proc.Natl.Acad.Sci.Usa 2021.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2021847118