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Magnesium in PDB 4iik: Legionella Pneumophila Effector

Protein crystallography data

The structure of Legionella Pneumophila Effector, PDB code: 4iik was solved by I.Tascon, Y.Chen, M.R.Neunuebel, A.L.Rojas, M.P.Machner, A.Hierro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.54 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.250, 71.520, 88.150, 90.00, 90.00, 90.00
R / Rfree (%) 12.1 / 16.8

Other elements in 4iik:

The structure of Legionella Pneumophila Effector also contains other interesting chemical elements:

Chlorine (Cl) 13 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Legionella Pneumophila Effector (pdb code 4iik). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Legionella Pneumophila Effector, PDB code: 4iik:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4iik

Go back to Magnesium Binding Sites List in 4iik
Magnesium binding site 1 out of 2 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:23.0
occ:1.00
OD2 A:ASP110 2.1 20.4 1.0
O A:HOH556 2.3 32.6 1.0
O A:GLY111 2.3 18.1 1.0
O A:HOH560 2.5 28.1 1.0
O A:HOH684 2.5 26.1 1.0
O A:HOH517 2.6 23.6 1.0
CG A:ASP110 3.3 19.7 1.0
C A:GLY111 3.5 14.2 1.0
MG A:MG402 3.6 34.3 1.0
OD1 A:ASP110 3.8 24.7 1.0
O A:HOH766 4.0 49.6 1.0
CB A:ASP91 4.0 19.3 1.0
N A:GLY111 4.2 14.0 1.0
O A:HOH576 4.2 23.5 1.0
OD2 A:ASP91 4.3 31.1 1.0
O A:PHE112 4.4 21.3 1.0
C A:ASP110 4.4 12.2 1.0
OD1 A:ASP92 4.4 18.5 1.0
CA A:PHE112 4.4 17.7 0.5
N A:PHE112 4.4 16.6 1.0
OD1 A:ASP327 4.4 27.0 1.0
CA A:GLY111 4.5 15.1 1.0
CA A:PHE112 4.5 17.4 0.5
O A:HOH742 4.6 53.4 1.0
C A:PHE112 4.6 19.2 1.0
O A:HOH744 4.6 54.3 1.0
CB A:ASP110 4.6 15.0 1.0
CG A:ASP91 4.7 22.1 1.0
O A:HOH518 4.7 19.4 1.0
O A:ASP110 4.8 15.0 1.0
O A:HOH741 4.8 42.3 1.0
CA A:ASP110 4.8 12.7 1.0
CA A:ASP91 4.9 16.7 1.0
C A:ASP91 5.0 13.8 1.0
O A:ASP91 5.0 16.9 1.0

Magnesium binding site 2 out of 2 in 4iik

Go back to Magnesium Binding Sites List in 4iik
Magnesium binding site 2 out of 2 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Legionella Pneumophila Effector within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:34.3
occ:1.00
O A:HOH741 2.4 42.3 1.0
O A:HOH684 2.5 26.1 1.0
O A:HOH769 2.5 34.3 1.0
O A:HOH560 2.5 28.1 1.0
OD1 A:ASP110 2.6 24.7 1.0
OD2 A:ASP326 3.3 38.9 1.0
CG A:ASP110 3.4 19.7 1.0
OD2 A:ASP110 3.5 20.4 1.0
MG A:MG401 3.6 23.0 1.0
OD2 A:ASP192 3.9 31.7 1.0
O A:HOH576 4.0 23.5 1.0
O A:HOH518 4.0 19.4 1.0
CG A:ASP326 4.1 33.3 1.0
O A:HOH766 4.1 49.6 1.0
O A:HOH670 4.2 0.2 1.0
OD1 A:ASP326 4.3 28.1 1.0
O A:HOH512 4.5 23.8 1.0
CG A:ASP192 4.8 23.5 1.0
O A:HOH742 4.8 53.4 1.0
CB A:ASP110 4.9 15.0 1.0
OD1 A:ASP192 4.9 22.6 1.0

Reference:

Y.Chen, I.Tascon, M.R.Neunuebel, C.Pallara, J.Brady, L.N.Kinch, J.Fernandez-Recio, A.L.Rojas, M.P.Machner, A.Hierro. Structural Basis For RAB1 De-Ampylation By the Legionella Pneumophila Effector Sidd Plos Pathog. V. 9 03382 2013.
ISSN: ISSN 1553-7366
PubMed: 23696742
DOI: 10.1371/JOURNAL.PPAT.1003382
Page generated: Fri Aug 16 16:44:57 2024

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