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Magnesium in PDB 7ssi: Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer State

Enzymatic activity of Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer State

All present enzymatic activity of Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer State:
2.7.13.3;

Protein crystallography data

The structure of Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer State, PDB code: 7ssi 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) 34.41 / 3.41
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 88.067, 115.634, 91.374, 90, 116.74, 90
R / Rfree (%) 25.2 / 28.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer State (pdb code 7ssi). 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-Q10A Complex in the Phosphotransfer State, PDB code: 7ssi:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 7ssi

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Magnesium binding site 1 out of 6 in the Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer 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-Q10A Complex in the Phosphotransfer State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:131.2
occ:1.00
O2B A:ACP401 2.1 159.7 1.0
OD1 A:ASN293 2.1 143.5 1.0
OE2 A:GLU289 2.3 144.4 1.0
O3G A:ACP401 2.3 159.4 1.0
O1A A:ACP401 2.3 158.4 1.0
O2G A:ACP401 3.0 159.2 1.0
PG A:ACP401 3.1 159.4 1.0
PB A:ACP401 3.1 159.6 1.0
CG A:ASN293 3.2 142.2 1.0
CD A:GLU289 3.3 140.5 1.0
O3A A:ACP401 3.3 159.0 1.0
PA A:ACP401 3.4 158.3 1.0
C3B A:ACP401 3.5 159.5 1.0
ND2 A:ASN293 3.7 142.3 1.0
OE1 A:GLU289 3.7 142.4 1.0
NZ A:LYS296 4.0 164.1 1.0
CE A:LYS296 4.1 162.4 1.0
NE2 A:HIS297 4.1 159.2 1.0
O5' A:ACP401 4.3 157.7 1.0
O1B A:ACP401 4.4 159.7 1.0
O1G A:ACP401 4.5 159.5 1.0
CA A:GLY336 4.5 130.5 1.0
O2A A:ACP401 4.5 158.2 1.0
CB A:ASN293 4.5 139.4 1.0
N A:GLY336 4.5 132.2 1.0
CG A:GLU289 4.6 130.3 1.0
CA A:ASN293 4.8 138.7 1.0
CD2 A:HIS297 4.8 158.0 1.0
N A:ASN293 5.0 136.7 1.0

Magnesium binding site 2 out of 6 in 7ssi

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Magnesium binding site 2 out of 6 in the Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer 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-Q10A Complex in the Phosphotransfer State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:300.0
occ:1.00
O B:HOH501 1.9 99.4 1.0
O1A B:ACP401 2.1 126.4 1.0
O2B B:ACP401 2.1 126.3 1.0
OD1 B:ASN293 2.2 120.2 1.0
OE2 B:GLU289 2.2 134.3 1.0
O3G B:ACP401 2.2 125.3 1.0
PB B:ACP401 3.1 126.3 1.0
PG B:ACP401 3.1 125.5 1.0
PA B:ACP401 3.2 126.6 1.0
CG B:ASN293 3.2 118.9 1.0
O2G B:ACP401 3.2 125.5 1.0
O3A B:ACP401 3.2 126.5 1.0
CD B:GLU289 3.3 130.8 1.0
ND2 B:ASN293 3.6 119.1 1.0
C3B B:ACP401 3.6 126.0 1.0
OE1 B:GLU289 3.8 133.2 1.0
O5' B:ACP401 4.1 127.8 1.0
NE2 B:HIS297 4.2 135.2 1.0
CA B:GLY336 4.3 124.8 1.0
NZ B:LYS296 4.3 142.9 1.0
O2A B:ACP401 4.3 126.3 1.0
N B:GLY336 4.3 126.3 1.0
CE B:LYS296 4.3 140.7 1.0
O1B B:ACP401 4.4 126.5 1.0
O1G B:ACP401 4.5 125.3 1.0
CB B:ASN293 4.5 116.8 1.0
CG B:GLU289 4.5 120.5 1.0
CA B:ASN293 4.8 116.2 1.0
CD2 B:HIS297 4.9 134.1 1.0

Magnesium binding site 3 out of 6 in 7ssi

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Magnesium binding site 3 out of 6 in the Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer 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-Q10A Complex in the Phosphotransfer State within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg201

b:81.4
occ:1.00
O C:HOH303 2.7 37.3 1.0
OD2 C:ASP54 2.9 106.6 1.0
O C:GLU56 3.0 112.6 1.0
OD1 C:ASP9 3.2 110.8 1.0
NZ C:LYS102 3.3 99.4 1.0
O C:HOH302 3.3 38.9 1.0
OD1 C:ASP54 3.4 105.3 1.0
CG C:ASP54 3.5 105.4 1.0
C C:GLU56 4.0 112.4 1.0
OE2 C:GLU8 4.2 109.5 1.0
CB C:GLU56 4.2 115.1 1.0
CG C:ASP9 4.2 110.4 1.0
NE2 B:GLN193 4.3 117.1 1.0
OD2 C:ASP9 4.4 111.7 1.0
CA C:GLU56 4.4 111.9 1.0
N C:GLU56 4.6 110.4 1.0
CE C:LYS102 4.6 96.1 1.0
CD B:GLN193 4.6 115.8 1.0
OE1 C:GLU8 4.9 109.5 1.0
OE1 B:GLN193 4.9 118.7 1.0
CD C:GLU8 5.0 109.2 1.0

Magnesium binding site 4 out of 6 in 7ssi

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Magnesium binding site 4 out of 6 in the Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer 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-Q10A Complex in the Phosphotransfer State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg402

b:300.0
occ:1.00
O D:HOH501 1.9 82.5 1.0
O1A D:ACP401 2.1 168.1 1.0
O2B D:ACP401 2.1 168.2 1.0
OD1 D:ASN293 2.1 135.6 1.0
OE2 D:GLU289 2.2 142.7 1.0
O3G D:ACP401 2.2 168.2 1.0
PB D:ACP401 3.1 168.1 1.0
PG D:ACP401 3.2 168.1 1.0
CG D:ASN293 3.2 134.6 1.0
PA D:ACP401 3.2 168.0 1.0
O2G D:ACP401 3.2 168.0 1.0
O3A D:ACP401 3.2 168.1 1.0
CD D:GLU289 3.3 138.5 1.0
ND2 D:ASN293 3.6 134.5 1.0
C3B D:ACP401 3.6 168.0 1.0
OE1 D:GLU289 3.8 139.9 1.0
NE2 D:HIS297 4.1 157.4 1.0
O5' D:ACP401 4.2 167.3 1.0
NZ D:LYS296 4.2 165.9 1.0
CE D:LYS296 4.3 163.8 1.0
O2A D:ACP401 4.3 168.0 1.0
CA D:GLY336 4.4 140.9 1.0
N D:GLY336 4.4 142.4 1.0
O1B D:ACP401 4.4 168.0 1.0
CB D:ASN293 4.5 132.7 1.0
O1G D:ACP401 4.5 168.1 1.0
CG D:GLU289 4.6 128.3 1.0
CA D:ASN293 4.8 133.4 1.0
CD2 D:HIS297 4.8 156.3 1.0

Magnesium binding site 5 out of 6 in 7ssi

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Magnesium binding site 5 out of 6 in the Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer 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-Q10A Complex in the Phosphotransfer State within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg402

b:292.9
occ:1.00
O E:HOH501 1.9 44.7 1.0
O1A E:ACP401 2.0 118.6 1.0
O2B E:ACP401 2.1 118.7 1.0
OD1 E:ASN293 2.1 113.6 1.0
OE2 E:GLU289 2.2 125.5 1.0
O3G E:ACP401 2.2 118.0 1.0
PB E:ACP401 3.1 118.7 1.0
PG E:ACP401 3.1 118.3 1.0
PA E:ACP401 3.2 118.5 1.0
CG E:ASN293 3.2 112.7 1.0
O2G E:ACP401 3.2 118.4 1.0
O3A E:ACP401 3.2 118.5 1.0
CD E:GLU289 3.3 121.7 1.0
ND2 E:ASN293 3.5 112.0 1.0
C3B E:ACP401 3.6 118.5 1.0
OE1 E:GLU289 3.8 123.2 1.0
O5' E:ACP401 4.1 119.3 1.0
NE2 E:HIS297 4.2 131.7 1.0
CA E:GLY336 4.3 130.3 1.0
O2A E:ACP401 4.3 118.0 1.0
NZ E:LYS296 4.3 139.1 1.0
N E:GLY336 4.3 131.6 1.0
CE E:LYS296 4.3 137.0 1.0
O1B E:ACP401 4.4 118.8 1.0
O1G E:ACP401 4.5 118.2 1.0
CB E:ASN293 4.5 112.2 1.0
CG E:GLU289 4.5 112.9 1.0
CA E:ASN293 4.8 112.5 1.0
CD2 E:HIS297 4.9 130.3 1.0

Magnesium binding site 6 out of 6 in 7ssi

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Magnesium binding site 6 out of 6 in the Crystal Structure of the Desk:Desr-Q10A Complex in the Phosphotransfer 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-Q10A Complex in the Phosphotransfer State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg201

b:73.5
occ:1.00
OD1 F:ASP54 3.0 111.9 1.0
OD2 F:ASP54 3.6 114.0 1.0
NZ F:LYS102 3.6 100.1 1.0
CG F:ASP54 3.7 112.0 1.0
O F:GLU56 3.8 112.3 1.0
CB F:GLU56 3.8 116.3 1.0
N F:GLU56 4.0 110.9 1.0
CE F:LYS102 4.1 98.0 1.0
CA F:GLU56 4.3 112.3 1.0
OE1 E:GLN193 4.3 116.0 1.0
CG F:GLU56 4.5 123.8 1.0
C F:GLU56 4.5 112.2 1.0
NE2 E:GLN193 4.8 111.2 1.0
CD E:GLN193 4.9 112.0 1.0
NH2 F:ARG84 4.9 134.8 1.0
OD1 F:ASP9 4.9 124.1 1.0
N F:ILE55 5.0 108.6 1.0
OG1 F:THR81 5.0 101.4 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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