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Magnesium in PDB 7ssj: Crystal Structure of the Desk-Desr Complex in the Phosphatase State

Enzymatic activity of Crystal Structure of the Desk-Desr Complex in the Phosphatase State

All present enzymatic activity of Crystal Structure of the Desk-Desr Complex in the Phosphatase State:
2.7.13.3;

Protein crystallography data

The structure of Crystal Structure of the Desk-Desr Complex in the Phosphatase State, PDB code: 7ssj was solved by F.Trajtenberg, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.00 / 2.52
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 94.691, 94.691, 240.85, 90, 90, 120
R / Rfree (%) 25.3 / 28.9

Other elements in 7ssj:

The structure of Crystal Structure of the Desk-Desr Complex in the Phosphatase State also contains other interesting chemical elements:

Fluorine (F) 9 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State (pdb code 7ssj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State, PDB code: 7ssj:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 7ssj

Go back to Magnesium Binding Sites List in 7ssj
Magnesium binding site 1 out of 6 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:84.8
occ:1.00
O3G A:ACP401 2.0 95.4 1.0
OE2 A:GLU289 2.0 88.0 1.0
O1A A:ACP401 2.1 92.1 1.0
OD1 A:ASN293 2.1 85.4 1.0
O2B A:ACP401 2.1 96.8 1.0
O A:HOH503 2.2 104.5 1.0
CG A:ASN293 3.1 85.0 1.0
PB A:ACP401 3.2 96.9 1.0
PA A:ACP401 3.2 92.5 1.0
CD A:GLU289 3.2 87.1 1.0
O3A A:ACP401 3.3 94.9 1.0
PG A:ACP401 3.4 96.5 1.0
ND2 A:ASN293 3.6 85.3 1.0
C3B A:ACP401 3.7 97.2 1.0
OE1 A:GLU289 3.8 89.5 1.0
O2G A:ACP401 4.1 97.1 1.0
O5' A:ACP401 4.2 91.8 1.0
CA A:GLY336 4.3 94.5 1.0
O2A A:ACP401 4.3 91.9 1.0
NZ A:LYS296 4.3 105.0 1.0
NE2 A:HIS297 4.3 97.6 1.0
N A:GLY336 4.4 97.4 1.0
CG A:GLU289 4.4 81.8 1.0
O1G A:ACP401 4.5 96.6 1.0
CB A:ASN293 4.5 84.1 1.0
O1B A:ACP401 4.5 97.7 1.0
CE A:LYS296 4.5 104.7 1.0
CA A:ASN293 4.8 84.1 1.0
O A:GLU289 4.9 78.2 1.0
N A:ASN293 4.9 83.4 1.0

Magnesium binding site 2 out of 6 in 7ssj

Go back to Magnesium Binding Sites List in 7ssj
Magnesium binding site 2 out of 6 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg201

b:51.6
occ:1.00
OD2 B:ASP54 2.0 59.4 1.0
O B:HOH303 2.1 70.7 1.0
O A:HOH501 2.1 62.8 1.0
F3 B:BEF202 2.1 73.3 1.0
OD1 B:ASP9 2.1 68.1 1.0
O B:GLU56 2.2 70.9 1.0
CG B:ASP54 3.0 61.1 1.0
BE B:BEF202 3.1 72.6 1.0
CG B:ASP9 3.2 66.1 1.0
OD1 B:ASP54 3.3 62.7 1.0
C B:GLU56 3.3 70.4 1.0
OD2 B:ASP9 3.6 67.3 1.0
OE2 B:GLU8 3.8 88.3 1.0
OE1 A:GLN193 3.9 72.0 1.0
NZ B:LYS102 4.0 78.5 1.0
CB B:GLU56 4.1 71.8 1.0
CA B:GLU56 4.1 69.4 1.0
F2 B:BEF202 4.1 72.0 1.0
F1 B:BEF202 4.3 73.6 1.0
CB B:ASP54 4.3 60.8 1.0
N B:GLU56 4.3 68.3 1.0
N B:MET57 4.4 70.8 1.0
CB B:ASP9 4.4 61.4 1.0
CD A:GLN193 4.5 71.8 1.0
NE2 A:GLN193 4.5 73.3 1.0
CG B:MET57 4.6 69.5 1.0
N B:ASP9 4.6 60.0 1.0
CD B:GLU8 4.6 82.6 1.0
CA B:MET57 4.7 71.7 1.0
CG B:GLN10 4.7 63.1 1.0
OE1 B:GLU8 4.9 86.4 1.0

Magnesium binding site 3 out of 6 in 7ssj

Go back to Magnesium Binding Sites List in 7ssj
Magnesium binding site 3 out of 6 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg402

b:188.1
occ:1.00
O C:HOH502 2.1 117.9 1.0
O3G C:ACP401 2.1 155.9 1.0
OD1 C:ASN293 2.1 151.9 1.0
O1A C:ACP401 2.1 154.3 1.0
OE2 C:GLU289 2.1 143.8 1.0
O2B C:ACP401 2.1 157.5 1.0
CG C:ASN293 3.1 150.4 1.0
PB C:ACP401 3.2 156.5 1.0
PA C:ACP401 3.3 154.1 1.0
PG C:ACP401 3.3 156.4 1.0
CD C:GLU289 3.3 141.9 1.0
O3A C:ACP401 3.4 154.9 1.0
ND2 C:ASN293 3.5 149.0 1.0
O2G C:ACP401 3.7 158.0 1.0
C3B C:ACP401 3.8 156.5 1.0
OE1 C:GLU289 3.9 142.2 1.0
O5' C:ACP401 4.2 154.2 1.0
CA C:GLY336 4.4 128.6 1.0
CB C:ASN293 4.4 149.3 1.0
O2A C:ACP401 4.4 152.8 1.0
CG C:GLU289 4.5 137.3 1.0
NE2 C:HIS297 4.5 164.0 1.0
N C:GLY336 4.5 130.1 1.0
O1B C:ACP401 4.5 157.1 1.0
O1G C:ACP401 4.5 155.3 1.0
NZ C:LYS296 4.6 171.9 1.0
CA C:ASN293 4.6 150.1 1.0
CE C:LYS296 4.7 171.1 1.0
N C:ASN293 4.9 149.6 1.0
O C:GLU289 5.0 137.3 1.0

Magnesium binding site 4 out of 6 in 7ssj

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Magnesium binding site 4 out of 6 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg402

b:90.0
occ:1.00
OE2 D:GLU289 2.0 102.2 1.0
OD1 D:ASN293 2.1 82.8 1.0
O D:HOH502 2.1 85.7 1.0
O2B D:ACP401 2.1 88.8 1.0
O3G D:ACP401 2.1 89.9 1.0
O1A D:ACP401 2.2 87.5 1.0
CG D:ASN293 3.0 82.1 1.0
PB D:ACP401 3.1 89.3 1.0
O3A D:ACP401 3.2 88.9 1.0
CD D:GLU289 3.2 100.5 1.0
PG D:ACP401 3.2 90.6 1.0
PA D:ACP401 3.2 88.1 1.0
ND2 D:ASN293 3.4 81.3 1.0
O2G D:ACP401 3.5 91.1 1.0
C3B D:ACP401 3.6 90.5 1.0
OE1 D:GLU289 3.8 102.5 1.0
O5' D:ACP401 4.3 88.8 1.0
CA D:GLY336 4.3 83.5 1.0
NE2 D:HIS297 4.3 98.2 1.0
NZ D:LYS296 4.3 109.8 1.0
CG D:GLU289 4.3 92.9 1.0
N D:GLY336 4.4 86.3 1.0
O2A D:ACP401 4.4 87.7 1.0
CB D:ASN293 4.4 82.3 1.0
O1B D:ACP401 4.5 89.6 1.0
CE D:LYS296 4.5 107.3 1.0
O1G D:ACP401 4.6 90.8 1.0
CA D:ASN293 4.8 83.3 1.0
O D:GLU289 4.9 83.6 1.0
N D:ASN293 5.0 83.5 1.0
CD2 D:HIS297 5.0 97.2 1.0

Magnesium binding site 5 out of 6 in 7ssj

Go back to Magnesium Binding Sites List in 7ssj
Magnesium binding site 5 out of 6 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg201

b:77.6
occ:1.00
OD2 E:ASP54 1.9 67.8 1.0
O E:HOH304 2.0 70.6 1.0
F3 E:BEF202 2.1 75.3 1.0
OD1 E:ASP9 2.1 75.4 1.0
O C:HOH501 2.2 75.5 1.0
O E:GLU56 2.2 78.8 1.0
CG E:ASP54 2.9 67.8 1.0
CG E:ASP9 3.1 75.4 1.0
BE E:BEF202 3.2 75.6 1.0
OD1 E:ASP54 3.3 66.2 1.0
C E:GLU56 3.4 77.9 1.0
OD2 E:ASP9 3.5 77.6 1.0
OE2 E:GLU8 3.8 89.3 1.0
NZ E:LYS102 4.0 82.4 1.0
CB E:GLU56 4.1 79.0 1.0
CA E:GLU56 4.1 76.4 1.0
NE2 C:GLN193 4.1 84.4 1.0
F2 E:BEF202 4.2 74.8 1.0
CB E:ASP54 4.3 70.4 1.0
OE1 C:GLN193 4.4 88.7 1.0
F1 E:BEF202 4.4 77.8 1.0
N E:MET57 4.4 78.3 1.0
N E:GLU56 4.4 74.8 1.0
CB E:ASP9 4.4 70.8 1.0
CG E:MET57 4.6 77.9 1.0
CD C:GLN193 4.6 84.5 1.0
N E:ASP9 4.6 68.5 1.0
CD E:GLU8 4.6 86.7 1.0
CA E:MET57 4.7 79.6 1.0
CG E:GLN10 4.7 74.5 1.0
OE1 E:GLU8 4.9 91.0 1.0

Magnesium binding site 6 out of 6 in 7ssj

Go back to Magnesium Binding Sites List in 7ssj
Magnesium binding site 6 out of 6 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg201

b:133.6
occ:1.00
OD1 F:ASP9 2.0 111.5 1.0
F3 F:BEF202 2.1 123.4 1.0
O F:GLU56 2.1 115.5 1.0
O D:HOH503 2.1 92.4 1.0
OD2 F:ASP54 2.2 116.5 1.0
O F:HOH301 2.2 106.1 1.0
CG F:ASP9 2.9 110.7 1.0
CG F:ASP54 3.2 116.1 1.0
OD2 F:ASP9 3.3 112.9 1.0
BE F:BEF202 3.3 122.4 1.0
C F:GLU56 3.3 115.1 1.0
OD1 F:ASP54 3.5 118.2 1.0
OE2 F:GLU8 4.1 112.6 1.0
F2 F:BEF202 4.1 122.2 1.0
CA F:GLU56 4.2 114.4 1.0
CG F:MET57 4.2 116.2 1.0
CB F:GLU56 4.2 117.2 1.0
CB F:ASP9 4.2 105.6 1.0
OE1 D:GLN193 4.3 100.1 1.0
NE2 D:GLN193 4.3 96.6 1.0
N F:MET57 4.3 115.1 1.0
F1 F:BEF202 4.4 122.2 1.0
N F:GLU56 4.5 113.2 1.0
CA F:MET57 4.5 115.6 1.0
NZ F:LYS102 4.5 112.4 1.0
CB F:ASP54 4.5 112.1 1.0
CD D:GLN193 4.5 96.9 1.0
N F:ASP9 4.6 103.0 1.0
CG F:GLN10 4.8 108.2 1.0
CD F:GLU8 4.9 113.0 1.0
CA F:ASP9 5.0 103.8 1.0
CB F:MET57 5.0 115.3 1.0

Reference:

S.Lima, J.Blanco, F.Olivieri, J.A.Imelio, F.Carrion, B.Alvarez, A.Buschiazzo, M.Marti, F.Trajtenberg. Molecular Basis of Unidirectional Information Transmission in Two-Component Systems: Lessons From the Desk-Desr Thermosensor To Be Published.
Page generated: Thu Oct 3 08:51:40 2024

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