Magnesium in PDB 7pjf: Inhibiting Parasite Proliferation Using A Rationally Designed Anti- Tubulin Agent

The structure of Inhibiting Parasite Proliferation Using A Rationally Designed Anti- Tubulin Agent, PDB code: 7pjf was solved by A.Sharma, N.Gaillard, V.A.Ehrhard, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.66 / 1.86
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.784, 91.312, 82.657, 90, 97.55, 90
R / Rfree (%)	18.4 / 21.9

The binding sites of Magnesium atom in the Inhibiting Parasite Proliferation Using A Rationally Designed Anti- Tubulin Agent (pdb code 7pjf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Inhibiting Parasite Proliferation Using A Rationally Designed Anti- Tubulin Agent, PDB code: 7pjf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Inhibiting Parasite Proliferation Using A Rationally Designed Anti- Tubulin Agent


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Inhibiting Parasite Proliferation Using A Rationally Designed Anti- Tubulin Agent within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:26.4 occ:1.00 O2G A:GTP501 2.0 23.2 1.0 O A:HOH652 2.1 23.5 1.0 O A:HOH663 2.2 21.5 1.0 O2B A:GTP501 2.2 17.9 1.0 PG A:GTP501 3.2 25.5 1.0 PB A:GTP501 3.3 25.1 1.0 O1G A:GTP501 3.5 23.6 1.0 O3B A:GTP501 3.5 27.7 1.0 O3A A:GTP501 3.8 23.6 1.0 OD1 A:ASP69 4.0 23.6 1.0 OE1 A:GLU71 4.1 49.6 1.0 NZ B:LYS254 4.1 34.0 1.0 OD2 A:ASP69 4.2 27.5 1.0 CB A:GLN11 4.2 20.6 1.0 OD2 A:ASP98 4.2 29.7 1.0 N A:GLN11 4.3 19.6 1.0 CB A:ASP98 4.4 27.4 1.0 O3G A:GTP501 4.5 27.3 1.0 CG A:ASP69 4.5 25.4 1.0 O1B A:GTP501 4.6 25.1 1.0 CG A:ASP98 4.7 30.9 1.0 PA A:GTP501 4.8 25.2 1.0 CA A:GLN11 4.8 21.4 1.0

Magnesium binding site 2 out of 2 in the Inhibiting Parasite Proliferation Using A Rationally Designed Anti- Tubulin Agent


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Inhibiting Parasite Proliferation Using A Rationally Designed Anti- Tubulin Agent within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:32.5 occ:1.00 O B:HOH641 2.0 33.5 1.0 O B:HOH709 2.1 29.0 1.0 O2G B:GTP501 2.1 33.9 1.0 O B:HOH655 2.2 30.6 1.0 O2B B:GTP501 2.2 26.5 1.0 O B:HOH701 2.2 30.5 1.0 PB B:GTP501 3.2 25.7 1.0 PG B:GTP501 3.3 34.1 1.0 O1G B:GTP501 3.6 34.1 1.0 O3B B:GTP501 3.7 28.6 1.0 O3A B:GTP501 3.8 28.8 1.0 CB B:GLN11 4.1 32.8 1.0 CB B:GLU71 4.1 47.6 1.0 OD2 B:ASP69 4.2 31.8 1.0 O B:HOH744 4.2 52.8 1.0 O B:HOH680 4.2 38.2 1.0 OD1 B:ASP69 4.2 34.1 1.0 N B:GLN11 4.2 26.4 1.0 O B:HOH675 4.2 31.0 1.0 O2A B:GTP501 4.4 27.6 1.0 O1B B:GTP501 4.6 27.3 1.0 CG B:GLU71 4.6 49.9 1.0 CG B:ASP69 4.6 33.2 1.0 O3G B:GTP501 4.6 33.5 1.0 PA B:GTP501 4.6 26.9 1.0 CA B:GLN11 4.8 28.4 1.0 OE1 B:GLN11 4.9 43.9 1.0

N.Gaillard, A.Sharma, I.Abbaali, T.Liu, F.Shilliday, A.D.Cook, V.A.Ehrhard, M.Bangera, A.J.Roberts, C.A.Moores, N.Morrissette, M.O.Steinmetz. Inhibiting Parasite Proliferation Using A Rationally Designed Anti-Tubulin Agent Embo Mol Med 2021.
ISSN: ESSN 1757-4684