Magnesium in PDB 6s8l: 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: 6s8l 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)	45.60 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.630, 91.200, 82.640, 90.00, 97.49, 90.00
R / Rfree (%)	21.5 / 26.6

The binding sites of Magnesium atom in the Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes (pdb code 6s8l). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes, PDB code: 6s8l:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 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:15.0 occ:1.00 O A:HOH721 2.0 9.4 1.0 O1G A:GTP501 2.1 14.0 1.0 O A:HOH810 2.1 13.7 1.0 O A:HOH696 2.1 9.5 1.0 O A:HOH669 2.1 8.5 1.0 O2B A:GTP501 2.2 6.0 1.0 PG A:GTP501 3.2 14.7 1.0 PB A:GTP501 3.3 11.1 1.0 O3B A:GTP501 3.6 12.2 1.0 O3G A:GTP501 3.7 13.9 1.0 O3A A:GTP501 3.8 9.4 1.0 NZ B:LYS254 3.9 21.1 1.0 OE1 A:GLU71 4.0 24.8 1.0 CB A:GLN11 4.1 8.9 1.0 OD1 A:ASP69 4.1 11.1 1.0 OD2 A:ASP69 4.2 16.1 1.0 OD2 A:ASP98 4.3 22.8 1.0 CG A:GLU71 4.3 22.2 1.0 N A:GLN11 4.4 10.5 1.0 O2G A:GTP501 4.5 7.5 1.0 O1A A:GTP501 4.5 15.4 1.0 CB A:ASP98 4.6 16.3 1.0 O1B A:GTP501 4.6 9.2 1.0 CG A:ASP69 4.6 17.1 1.0 CD A:GLU71 4.7 21.5 1.0 OE1 A:GLN11 4.7 22.8 1.0 CG A:ASP98 4.8 21.8 1.0 CA A:GLN11 4.8 8.8 1.0 PA A:GTP501 4.8 12.1 1.0 ND2 B:ASN249 4.8 54.2 1.0 CG B:ASN249 4.9 54.0 1.0 O B:HOH740 4.9 21.7 1.0

Magnesium binding site 2 out of 2 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 2 of Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:27.4 occ:1.00 O B:HOH602 1.7 18.2 1.0 O3B B:GDP502 2.0 20.4 1.0 PB B:GDP502 2.7 19.1 1.0 O2B B:GDP502 2.9 12.4 1.0 O B:HOH650 2.9 22.8 1.0 O3A B:GDP502 3.1 14.0 1.0 O B:HOH693 3.1 21.7 1.0 OG1 B:THR145 4.1 18.9 1.0 O1B B:GDP502 4.2 16.8 1.0 N B:ASN101 4.2 23.3 1.0 N B:GLY144 4.3 13.1 1.0 N B:THR145 4.3 18.1 1.0 N B:GLY100 4.5 24.4 1.0 OD1 B:ASN101 4.5 28.4 1.0 N B:ALA99 4.6 28.5 1.0 CB B:THR145 4.6 17.4 1.0 PA B:GDP502 4.6 15.7 1.0 CB B:ALA99 4.8 31.1 1.0 CA B:ASN101 4.9 17.3 1.0 CA B:GLY144 4.9 13.8 1.0 O2A B:GDP502 5.0 15.7 1.0 C B:ALA99 5.0 29.8 1.0

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