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Magnesium in PDB 6k4e: Siaa-PP2C Domain of Pseudomonas Aeruginosa

Protein crystallography data

The structure of Siaa-PP2C Domain of Pseudomonas Aeruginosa, PDB code: 6k4e was solved by L.Jianqing, L.Julien, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.81 / 2.09
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.170, 110.480, 111.600, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 24.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Siaa-PP2C Domain of Pseudomonas Aeruginosa (pdb code 6k4e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Siaa-PP2C Domain of Pseudomonas Aeruginosa, PDB code: 6k4e:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 6k4e

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Magnesium binding site 1 out of 6 in the Siaa-PP2C Domain of Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Siaa-PP2C Domain of Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg701

b:38.4
occ:1.00
 OD2 A:ASP474 1.9 39.6 1.0
OD1 A:ASP600 2.0 43.8 1.0
OD2 A:ASP653 2.1 28.5 1.0
O A:HOH835 2.1 29.0 1.0
O A:HOH824 2.2 34.8 1.0
O A:HOH801 2.3 35.2 1.0
CG A:ASP474 3.0 42.2 1.0
CG A:ASP600 3.0 45.0 1.0
CG A:ASP653 3.1 39.2 1.0
OD2 A:ASP600 3.4 45.1 1.0
OD1 A:ASP474 3.4 39.3 1.0
OD1 A:ASP653 3.5 38.8 1.0
O A:HOH815 3.7 62.1 1.0
O A:HOH840 4.0 38.4 1.0
N A:GLY601 4.0 34.9 1.0
OD1 A:ASP457 4.3 39.5 1.0
CB A:ASP474 4.3 35.8 1.0
O A:HOH803 4.3 31.9 1.0
CB A:ASP600 4.4 35.9 1.0
MG A:MG702 4.4 33.2 1.0
CB A:ASP653 4.4 35.1 1.0
N A:ASP600 4.5 32.4 1.0
O A:ASP654 4.5 38.7 1.0
CA A:GLY601 4.5 35.8 1.0
O A:HOH855 4.6 53.6 1.0
C A:ASP600 4.6 39.6 1.0
CA A:ASP600 4.7 33.8 1.0
CB A:THR599 4.9 34.0 1.0
O A:HOH860 4.9 49.2 1.0

Magnesium binding site 2 out of 6 in 6k4e

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Magnesium binding site 2 out of 6 in the Siaa-PP2C Domain of Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Siaa-PP2C Domain of Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg702

b:33.2
occ:1.00
 O A:CYS475 2.2 42.2 1.0
O A:GLY477 2.3 47.0 1.0
OD1 A:ASP474 2.3 39.3 1.0
O A:HOH803 2.4 31.9 1.0
O A:HOH801 2.5 35.2 1.0
O A:HOH815 2.6 62.1 1.0
O A:HOH860 2.6 49.2 1.0
C A:GLY477 3.3 49.2 1.0
C A:CYS475 3.4 42.5 1.0
CG A:ASP474 3.5 42.2 1.0
N A:GLY477 3.5 44.8 1.0
C A:ALA476 3.9 47.9 1.0
CA A:GLY477 4.0 45.6 1.0
N A:CYS475 4.1 37.7 1.0
OD2 A:ASP474 4.1 39.6 1.0
N A:ALA476 4.2 40.3 1.0
CA A:ALA476 4.3 42.1 1.0
CA A:GLY456 4.3 36.0 1.0
CA A:CYS475 4.3 39.3 1.0
C A:ASP474 4.3 39.5 1.0
N A:HIS478 4.4 47.8 1.0
MG A:MG701 4.4 38.4 1.0
O A:ALA476 4.5 50.1 1.0
C A:GLY456 4.5 38.8 1.0
O A:GLY456 4.5 39.4 1.0
OD2 A:ASP654 4.5 39.6 1.0
OD1 A:ASP457 4.5 39.5 1.0
O A:HOH908 4.5 56.4 1.0
O A:HOH824 4.5 34.8 1.0
OD1 A:ASP653 4.7 38.8 1.0
CB A:ASP474 4.7 35.8 1.0
CA A:ASP474 4.7 35.8 1.0
CA A:HIS478 4.8 49.2 1.0
O A:ASP474 4.9 35.6 1.0
N A:GLY456 4.9 36.7 1.0

Magnesium binding site 3 out of 6 in 6k4e

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Magnesium binding site 3 out of 6 in the Siaa-PP2C Domain of Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Siaa-PP2C Domain of Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg703

b:47.0
occ:1.00
 OD2 A:ASP600 2.1 45.1 1.0
O A:HOH841 2.2 42.2 1.0
O A:HOH859 2.2 48.5 1.0
O A:HOH820 2.3 37.3 1.0
CG A:ASP600 3.3 45.0 1.0
O A:HOH824 3.8 34.8 1.0
CB A:ASP600 3.9 35.9 1.0
OD2 A:ASP534 4.2 48.2 1.0
OD2 A:ASP604 4.3 42.1 1.0
OD1 A:ASP600 4.3 43.8 1.0
NZ A:LYS553 4.3 73.7 1.0
CE A:LYS553 4.5 58.0 1.0
O A:HOH850 4.9 56.9 1.0

Magnesium binding site 4 out of 6 in 6k4e

Go back to Magnesium Binding Sites List in 6k4e
Magnesium binding site 4 out of 6 in the Siaa-PP2C Domain of Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Siaa-PP2C Domain of Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg701

b:49.7
occ:1.00
 OD2 B:ASP653 1.9 44.4 1.0
O B:HOH851 2.1 30.1 1.0
O B:HOH801 2.1 35.6 1.0
OD2 B:ASP474 2.1 43.6 1.0
O B:HOH820 2.3 34.5 1.0
OD1 B:ASP600 2.3 47.4 1.0
CG B:ASP653 2.9 41.5 1.0
CG B:ASP474 3.1 40.7 1.0
OD1 B:ASP653 3.3 42.4 1.0
CG B:ASP600 3.3 48.1 1.0
OD1 B:ASP474 3.3 41.0 1.0
OD2 B:ASP600 3.6 56.1 1.0
O B:HOH814 3.8 36.1 1.0
MG B:MG702 3.9 31.6 1.0
O B:HOH916 4.0 65.1 1.0
O B:HOH805 4.1 37.2 1.0
O B:HOH806 4.1 39.9 1.0
CB B:ASP653 4.3 38.9 1.0
OD1 B:ASP457 4.3 42.7 1.0
N B:GLY601 4.3 32.5 1.0
O B:HOH842 4.4 30.6 1.0
CB B:ASP474 4.4 36.1 1.0
O B:ASP654 4.5 39.6 1.0
CB B:ASP600 4.7 35.2 1.0
CA B:GLY601 4.8 31.8 1.0
N B:ASP600 4.8 33.8 1.0
C B:ASP600 5.0 36.5 1.0

Magnesium binding site 5 out of 6 in 6k4e

Go back to Magnesium Binding Sites List in 6k4e
Magnesium binding site 5 out of 6 in the Siaa-PP2C Domain of Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Siaa-PP2C Domain of Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg702

b:31.6
occ:1.00
 O B:HOH814 2.1 36.1 1.0
O B:HOH805 2.2 37.2 1.0
OD1 B:ASP474 2.2 41.0 1.0
O B:GLY477 2.3 45.2 1.0
O B:HOH801 2.3 35.6 1.0
O B:CYS475 2.4 41.3 1.0
C B:GLY477 3.3 45.7 1.0
CG B:ASP474 3.4 40.7 1.0
C B:CYS475 3.6 42.3 1.0
N B:GLY477 3.7 40.8 1.0
MG B:MG701 3.9 49.7 1.0
OD2 B:ASP474 3.9 43.6 1.0
CA B:GLY477 4.0 41.5 1.0
O B:HOH851 4.1 30.1 1.0
C B:ALA476 4.1 45.9 1.0
N B:CYS475 4.2 37.6 1.0
O B:HOH877 4.3 48.0 1.0
N B:HIS478 4.4 42.7 1.0
C B:ASP474 4.4 40.6 1.0
OD1 B:ASP457 4.4 42.7 1.0
CA B:GLY456 4.4 34.6 1.0
N B:ALA476 4.4 40.4 1.0
CA B:ALA476 4.4 40.8 1.0
OD2 B:ASP654 4.4 40.0 1.0
OD1 B:ASP653 4.5 42.4 1.0
O B:HOH918 4.5 60.2 1.0
CA B:CYS475 4.5 39.1 1.0
O B:HOH875 4.6 50.0 1.0
C B:GLY456 4.6 40.3 1.0
O B:GLY456 4.6 40.2 1.0
CB B:ASP474 4.6 36.1 1.0
O B:ALA476 4.6 50.0 1.0
CA B:ASP474 4.7 35.1 1.0
CA B:HIS478 4.8 43.8 1.0
O B:HOH820 4.8 34.5 1.0
O B:HOH916 4.9 65.1 1.0
O B:ASP474 4.9 40.6 1.0
CB B:HIS478 5.0 45.8 1.0

Magnesium binding site 6 out of 6 in 6k4e

Go back to Magnesium Binding Sites List in 6k4e
Magnesium binding site 6 out of 6 in the Siaa-PP2C Domain of Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Siaa-PP2C Domain of Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg703

b:43.1
occ:1.00
 O B:HOH894 1.9 56.9 1.0
OD2 B:ASP600 2.2 56.1 1.0
O B:HOH846 2.3 59.7 1.0
O B:HOH873 2.3 48.1 1.0
O B:HOH803 2.6 43.2 1.0
CG B:ASP600 3.2 48.1 1.0
CB B:ASP600 3.6 35.2 1.0
OD2 B:ASP534 4.0 64.9 1.0
OD1 B:ASP600 4.4 47.4 1.0
O B:HOH851 4.5 30.1 1.0
CE B:LYS553 4.5 72.0 1.0
NZ B:LYS553 4.6 85.5 1.0
OD2 B:ASP604 4.7 44.9 1.0
O B:HOH842 4.8 30.6 1.0

Reference:

L.Jianqing, L.Julien. Siaa-PP2C Domain of Pseudomonas Aeruginosa To Be Published.
Page generated: Tue Oct 1 06:24:38 2024

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