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

Enzymatic activity of 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;

Protein crystallography data

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

Magnesium Binding Sites:

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 6whe

Go back to Magnesium Binding Sites List in 6whe
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 6whe

Go back to Magnesium Binding Sites List in 6whe
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

Reference:

D.Waschbusch, E.Purlyte, A.R.Khan. Dual Arginine Recognition of LRRK2 Phosphorylated Rab Gtpases Biophys.J. 2021.
ISSN: ESSN 1542-0086
Page generated: Tue Oct 1 22:59:07 2024

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