Magnesium in PDB 3qe0: A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State

All present enzymatic activity of A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State:
3.6.5.1;

The structure of A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State, PDB code: 3qe0 was solved by D.E.Bosch, F.S.Willard, A.J.Kimple, M.J.Miley, D.P.Siderovski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.44 / 3.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.637, 106.637, 455.062, 90.00, 90.00, 120.00
R / Rfree (%)	24.7 / 29.2

The binding sites of Magnesium atom in the A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State (pdb code 3qe0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State, PDB code: 3qe0:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg556 b:44.9 occ:1.00 O1B A:GDP555 2.6 79.9 1.0 OG A:SER47 2.6 51.2 1.0 OG1 A:THR181 2.7 71.4 1.0 O2B A:GDP555 3.0 80.9 1.0 PB A:GDP555 3.2 81.5 1.0 CG2 A:THR181 3.2 69.8 1.0 CB A:THR181 3.5 0.7 1.0 O3A A:GDP555 3.5 79.9 1.0 CB A:SER47 3.6 64.8 1.0 N A:THR181 3.8 89.8 1.0 O A:VAL179 3.9 45.7 1.0 O1A A:GDP555 4.1 81.5 1.0 CA A:THR181 4.1 1.0 1.0 O A:THR181 4.3 0.1 1.0 PA A:GDP555 4.4 79.5 1.0 N A:SER47 4.6 37.9 1.0 O3B A:GDP555 4.6 83.6 1.0 OD2 A:ASP200 4.7 95.4 1.0 CA A:SER47 4.7 40.8 1.0 C A:THR181 4.7 93.4 1.0 OD1 A:ASP200 4.9 79.9 1.0 C A:LYS180 5.0 0.7 1.0

Magnesium binding site 2 out of 3 in the A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg556 b:11.1 occ:1.00 OG B:SER47 2.4 53.7 1.0 O1B B:GDP355 2.9 64.7 1.0 O2B B:GDP355 3.0 61.6 1.0 PB B:GDP355 3.2 61.2 1.0 CB B:SER47 3.3 47.4 1.0 O3A B:GDP355 3.4 57.0 1.0 O B:VAL179 3.9 63.6 1.0 O B:THR181 4.1 0.3 1.0 O1A B:GDP355 4.1 59.4 1.0 CG2 B:THR182 4.3 0.5 1.0 CB B:VAL179 4.3 0.9 1.0 PA B:GDP355 4.3 53.6 1.0 N B:SER47 4.4 35.2 1.0 CA B:SER47 4.4 48.4 1.0 OD2 B:ASP200 4.5 68.3 1.0 O3B B:GDP355 4.7 61.7 1.0 C B:VAL179 4.8 56.5 1.0 OD1 B:ASP200 4.8 60.8 1.0 CG1 B:VAL179 4.9 0.6 1.0

Magnesium binding site 3 out of 3 in the A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of A Galpha-I1 P-Loop Mutation Prevents Transition to the Activated State within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg552 b:44.2 occ:1.00 OG C:SER47 2.5 67.4 1.0 OG1 C:THR181 2.7 0.5 1.0 O1B C:GDP551 2.7 88.9 1.0 O2B C:GDP551 2.8 86.7 1.0 PB C:GDP551 3.3 90.3 1.0 CB C:SER47 3.4 59.7 1.0 O1A C:GDP551 3.5 71.7 1.0 O C:VAL179 3.5 0.1 1.0 CB C:THR181 3.9 0.2 1.0 N C:THR181 3.9 0.8 1.0 O C:THR181 3.9 0.9 1.0 CG2 C:THR181 4.3 0.4 1.0 O3A C:GDP551 4.3 29.9 1.0 CA C:THR181 4.3 0.3 1.0 PA C:GDP551 4.3 89.7 1.0 O3B C:GDP551 4.4 61.2 1.0 N C:SER47 4.6 64.2 1.0 CA C:SER47 4.6 69.4 1.0 C C:THR181 4.6 0.0 1.0 O2A C:GDP551 4.7 19.6 1.0 C C:VAL179 4.7 0.6 1.0 OD2 C:ASP200 4.8 72.8 1.0

D.E.Bosch, F.S.Willard, R.Ramanujam, A.J.Kimple, M.D.Willard, N.I.Naqvi, D.P.Siderovski. A P-Loop Mutation in Galpha Subunits Prevents Transition to the Active State: Implications For G-Protein Signaling in Fungal Pathogenesis Plos Pathog. V. 8 02553 2012.
ISSN: ISSN 1553-7366
PubMed: 22383884
DOI: 10.1371/JOURNAL.PPAT.1002553