Magnesium in PDB 6s8k: Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes

The structure of Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes, PDB code: 6s8k was solved by A.Sharma, N.Olieric, M.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.02 / 1.52
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.565, 91.351, 83.221, 90.00, 96.85, 90.00
R / Rfree (%)	17.7 / 20.3

The binding sites of Magnesium atom in the Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes (pdb code 6s8k). 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 Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes, PDB code: 6s8k:

Magnesium binding site 1 out of 1 in the Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:19.4 occ:1.00 O2B A:GTP501 2.1 18.9 1.0 O1G A:GTP501 2.1 19.4 1.0 O A:HOH876 2.1 19.7 1.0 O A:HOH672 2.1 20.8 1.0 O A:HOH686 2.1 20.7 1.0 O A:HOH700 2.2 19.5 1.0 PB A:GTP501 3.2 19.1 1.0 PG A:GTP501 3.2 18.6 1.0 O3B A:GTP501 3.5 17.3 1.0 O2G A:GTP501 3.7 19.6 1.0 O3A A:GTP501 3.7 19.1 1.0 NZ B:LYS254 3.8 32.8 1.0 OD1 A:ASP69 4.1 19.8 1.0 CB A:GLN11 4.1 20.8 1.0 OE1 A:GLU71 4.1 33.5 1.0 OD2 A:ASP98 4.2 26.4 1.0 OD2 A:ASP69 4.2 21.2 1.0 N A:GLN11 4.3 19.6 1.0 O3G A:GTP501 4.5 20.2 1.0 O1B A:GTP501 4.5 20.5 1.0 ND2 B:ASN249 4.5 55.8 1.0 O1A A:GTP501 4.5 21.9 1.0 CG A:GLU71 4.5 27.0 1.0 CB A:ASP98 4.6 23.7 1.0 CG A:ASP69 4.6 21.6 1.0 OE1 A:GLN11 4.7 27.3 1.0 CG B:ASN249 4.7 51.4 1.0 PA A:GTP501 4.7 20.1 1.0 CG A:ASP98 4.7 24.1 1.0 CA A:GLN11 4.8 18.8 1.0 CD A:GLU71 4.8 27.8 1.0 OD1 B:ASN249 4.9 52.8 1.0 O A:HOH897 4.9 31.7 1.0

G.La Sala, N.Olieric, A.Sharma. Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes Chem V. 5 2019.
ISSN: ESSN 2451-9294
DOI: 10.1016/J.CHEMPR.2019.08.022