Magnesium in PDB 6whe: Structure of Phosphomimetic RAB8A Gtpase (T72E) in the Gtp-Bound State

All present enzymatic activity of Structure of Phosphomimetic RAB8A Gtpase (T72E) in the Gtp-Bound State:
3.6.5.2;

The structure of Structure of Phosphomimetic RAB8A Gtpase (T72E) in the Gtp-Bound State, PDB code: 6whe was solved by D.Waschbusch, A.R.Khan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.29 / 1.73
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.092, 118.377, 39.603, 90, 101.96, 90
R / Rfree (%)	18.7 / 23

The binding sites of Magnesium atom in the Structure of Phosphomimetic RAB8A Gtpase (T72E) in the Gtp-Bound State (pdb code 6whe). 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 of Phosphomimetic RAB8A Gtpase (T72E) in the Gtp-Bound State, PDB code: 6whe:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Phosphomimetic RAB8A Gtpase (T72E) in the Gtp-Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Phosphomimetic RAB8A Gtpase (T72E) in the Gtp-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:11.2 occ:1.00 OG1 A:THR22 2.0 11.8 1.0 O3G A:GTP900 2.0 16.3 1.0 O A:HOH1032 2.0 10.8 1.0 O2B A:GTP900 2.1 10.6 1.0 OG1 A:THR40 2.1 12.7 1.0 O A:HOH1037 2.2 11.6 1.0 CB A:THR22 3.1 12.7 1.0 CB A:THR40 3.1 16.3 1.0 PG A:GTP900 3.2 12.1 1.0 PB A:GTP900 3.3 11.7 1.0 O3B A:GTP900 3.5 9.6 1.0 N A:THR40 3.7 14.8 1.0 N A:THR22 3.9 9.3 1.0 O2G A:GTP900 3.9 10.6 1.0 OD2 A:ASP63 4.0 17.2 1.0 CA A:THR40 4.0 14.3 1.0 CA A:THR22 4.0 9.6 1.0 OD1 A:ASP63 4.1 15.9 1.0 O2A A:GTP900 4.1 12.1 1.0 CG2 A:THR22 4.2 11.4 1.0 O3A A:GTP900 4.3 9.4 1.0 CG2 A:THR40 4.3 16.9 1.0 O1B A:GTP900 4.4 9.0 1.0 O A:HOH1049 4.4 15.7 1.0 O1G A:GTP900 4.4 14.0 1.0 CG A:ASP63 4.4 16.0 1.0 PA A:GTP900 4.5 11.6 1.0 O1A A:GTP900 4.6 9.4 1.0 O A:THR64 4.6 16.3 1.0 C A:SER39 4.7 18.1 1.0 O A:ILE38 4.7 13.9 1.0 CA A:SER39 4.9 16.1 0.4 CA A:SER39 4.9 15.5 0.6 CB A:LYS21 4.9 10.0 1.0 C A:LYS21 4.9 16.1 1.0

Magnesium binding site 2 out of 2 in the Structure of Phosphomimetic RAB8A Gtpase (T72E) in the Gtp-Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Phosphomimetic RAB8A Gtpase (T72E) in the Gtp-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:13.9 occ:1.00 OG1 B:THR22 2.0 12.7 1.0 O3G B:GTP201 2.0 14.1 1.0 O B:HOH321 2.1 12.2 1.0 O2B B:GTP201 2.1 13.2 1.0 O B:HOH347 2.1 12.6 1.0 OG1 B:THR40 2.1 13.9 1.0 CB B:THR40 3.2 14.3 1.0 CB B:THR22 3.2 11.2 1.0 PG B:GTP201 3.3 14.7 1.0 PB B:GTP201 3.3 13.5 1.0 O3B B:GTP201 3.6 13.5 1.0 N B:THR40 3.7 17.3 1.0 N B:THR22 3.9 10.5 1.0 O2G B:GTP201 4.0 14.2 1.0 OD2 B:ASP63 4.0 13.5 1.0 CA B:THR40 4.0 15.8 1.0 CA B:THR22 4.1 13.4 1.0 OD1 B:ASP63 4.2 14.3 1.0 CG2 B:THR22 4.2 15.9 1.0 O2A B:GTP201 4.2 18.1 1.0 O B:HOH334 4.3 18.2 1.0 CG2 B:THR40 4.3 17.0 1.0 O1B B:GTP201 4.4 11.8 1.0 O3A B:GTP201 4.4 12.4 1.0 O1G B:GTP201 4.4 20.0 1.0 CG B:ASP63 4.5 17.5 1.0 O B:THR64 4.5 13.0 1.0 PA B:GTP201 4.6 15.4 1.0 O1A B:GTP201 4.6 16.1 1.0 O B:ILE38 4.6 24.2 1.0 C B:SER39 4.7 20.4 1.0 CE B:LYS21 4.9 11.9 1.0 CB B:LYS21 4.9 11.0 1.0 CA B:SER39 5.0 21.0 0.3 CA B:SER39 5.0 21.1 0.7 C B:LYS21 5.0 11.0 1.0

D.Waschbusch, E.Purlyte, A.R.Khan. Dual Arginine Recognition of LRRK2 Phosphorylated Rab Gtpases Biophys.J. 2021.
ISSN: ESSN 1542-0086