Magnesium in PDB 8f73: Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose

Enzymatic activity of Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose

All present enzymatic activity of Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose:
2.7.7.9;

Protein crystallography data

The structure of Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose, PDB code: 8f73 was solved by L.Dirr, J.Fuehring, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.98 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 84.715, 114.847, 155.761, 90, 97.39, 90
R / Rfree (%) 19.5 / 23.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose (pdb code 8f73). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose, PDB code: 8f73:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 8f73

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Magnesium binding site 1 out of 8 in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose


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 Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:52.2
occ:1.00
OD2 A:ASP130 1.9 53.1 1.0
O1B A:UPG301 2.0 49.7 1.0
O A:HOH406 2.0 48.5 1.0
O A:HOH403 2.3 42.0 1.0
O A:HOH401 2.4 75.8 1.0
O2A A:UPG301 2.4 46.5 1.0
CG A:ASP130 3.0 53.1 1.0
H5C1 A:UPG301 3.2 54.8 1.0
PB A:UPG301 3.2 49.4 1.0
OD1 A:ASP130 3.5 55.4 1.0
O3A A:UPG301 3.5 44.7 1.0
O6' A:UPG301 3.5 54.4 1.0
PA A:UPG301 3.5 44.7 1.0
HA3 A:GLY256 3.8 63.9 1.0
HZ2 A:LYS25 3.8 77.8 1.0
HO6' A:UPG301 3.9 65.2 1.0
O5' A:UPG301 3.9 46.9 1.0
C5C A:UPG301 4.1 45.6 1.0
O2B A:UPG301 4.3 54.7 1.0
H1' A:UPG301 4.3 61.4 1.0
O3B A:UPG301 4.3 43.8 1.0
CB A:ASP130 4.3 39.8 1.0
HB2 A:ASP130 4.3 47.8 1.0
O5C A:UPG301 4.4 35.7 1.0
HZ1 A:LYS25 4.4 77.8 1.0
C1' A:UPG301 4.4 51.2 1.0
H5C2 A:UPG301 4.5 54.8 1.0
H5' A:UPG301 4.5 58.1 1.0
NZ A:LYS25 4.5 64.8 1.0
C5' A:UPG301 4.6 48.4 1.0
C6' A:UPG301 4.6 50.6 1.0
H3C A:UPG301 4.7 58.9 1.0
HB3 A:ASP130 4.7 47.8 1.0
CA A:GLY256 4.7 53.2 1.0
O1A A:UPG301 4.8 49.4 1.0
HD13 A:LEU128 4.8 43.5 1.0
H A:GLY256 4.8 70.2 1.0
OD1 A:ASP254 4.8 53.4 1.0
OD1 A:ASP131 4.9 55.0 1.0
HB3 A:LEU128 4.9 45.5 1.0
HZ3 A:LYS25 5.0 77.8 1.0

Magnesium binding site 2 out of 8 in 8f73

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Magnesium binding site 2 out of 8 in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose


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 Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:51.6
occ:1.00
O B:HOH401 2.0 70.9 1.0
O B:HOH404 2.1 71.4 1.0
OD2 B:ASP130 2.1 56.5 1.0
O B:HOH402 2.1 60.5 1.0
O1B B:UPG301 2.2 36.3 1.0
O2A B:UPG301 2.2 68.5 1.0
CG B:ASP130 3.1 58.9 1.0
HO6' B:UPG301 3.1 50.7 1.0
PA B:UPG301 3.4 51.5 1.0
PB B:UPG301 3.4 130.1 1.0
O6' B:UPG301 3.5 42.2 1.0
OD1 B:ASP130 3.5 67.8 1.0
O5C B:UPG301 3.6 64.3 1.0
O3A B:UPG301 3.8 51.3 1.0
O5' B:UPG301 3.8 56.0 1.0
HA3 B:GLY256 3.9 63.2 1.0
HZ2 B:LYS25 3.9 78.8 1.0
HB2 B:ASP130 4.1 48.5 1.0
CB B:ASP130 4.2 40.4 1.0
H5' B:UPG301 4.3 63.2 1.0
O B:HOH407 4.3 58.9 1.0
O3B B:UPG301 4.4 69.8 1.0
O2B B:UPG301 4.4 43.5 1.0
HZ1 B:LYS25 4.5 78.8 1.0
H1' B:UPG301 4.5 82.4 1.0
C5' B:UPG301 4.5 52.7 1.0
C1' B:UPG301 4.5 68.7 1.0
C6' B:UPG301 4.6 54.6 1.0
OD1 B:ASP131 4.6 53.9 1.0
H3C B:UPG301 4.6 73.5 1.0
NZ B:LYS25 4.6 65.7 1.0
HB3 B:ASP130 4.7 48.5 1.0
O1A B:UPG301 4.7 58.5 1.0
CA B:GLY256 4.8 52.7 1.0
OD1 B:ASP254 4.8 54.5 1.0
H B:GLY256 4.8 70.2 1.0
HD13 B:LEU128 4.8 56.6 1.0
C5C B:UPG301 5.0 56.2 1.0

Magnesium binding site 3 out of 8 in 8f73

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Magnesium binding site 3 out of 8 in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose


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 Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg303

b:45.9
occ:1.00
OD2 C:ASP130 2.1 59.2 1.0
O C:HOH403 2.1 58.2 1.0
O C:HOH406 2.1 64.9 1.0
O1B C:UPG301 2.2 51.7 1.0
O C:HOH409 2.2 68.1 1.0
O1A C:UPG301 2.3 52.1 1.0
CG C:ASP130 3.1 54.0 1.0
HO6' C:UPG301 3.2 69.2 1.0
PB C:UPG301 3.4 49.9 1.0
PA C:UPG301 3.5 53.7 1.0
OD1 C:ASP130 3.5 56.9 1.0
O5C C:UPG301 3.7 58.6 1.0
O6' C:UPG301 3.7 57.7 1.0
O3A C:UPG301 3.8 50.2 1.0
HA3 C:GLY256 3.8 75.6 1.0
O5' C:UPG301 4.1 46.9 1.0
O2B C:UPG301 4.2 63.3 1.0
HZ2 C:LYS25 4.3 85.4 1.0
O C:HOH411 4.3 53.1 1.0
H3C C:UPG301 4.4 76.0 1.0
CB C:ASP130 4.4 52.6 1.0
HE3 C:LYS25 4.4 71.4 1.0
HB2 C:ASP130 4.4 63.1 1.0
O3B C:UPG301 4.5 65.1 1.0
HZ1 C:LYS25 4.5 85.4 1.0
H5' C:UPG301 4.6 64.1 1.0
C1' C:UPG301 4.7 54.6 1.0
OD1 C:ASP131 4.7 67.9 1.0
H1' C:UPG301 4.7 65.5 1.0
OD1 C:ASP254 4.7 62.5 1.0
C5' C:UPG301 4.8 53.4 1.0
HD13 C:LEU128 4.8 50.1 1.0
NZ C:LYS25 4.8 71.2 1.0
CA C:GLY256 4.8 63.0 1.0
C6' C:UPG301 4.8 60.6 1.0
H C:GLY256 4.8 68.2 1.0
O2A C:UPG301 4.8 52.2 1.0
HB3 C:ASP130 4.9 63.1 1.0
HB3 C:LEU128 4.9 61.9 1.0

Magnesium binding site 4 out of 8 in 8f73

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Magnesium binding site 4 out of 8 in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose


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 Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg303

b:68.3
occ:1.00
O D:HOH402 2.0 80.0 1.0
O1B D:UPG301 2.0 58.3 1.0
OD2 D:ASP130 2.2 71.1 1.0
O2A D:UPG301 2.4 49.1 1.0
O D:HOH403 2.4 66.6 1.0
O D:HOH401 2.7 66.7 1.0
PB D:UPG301 2.9 54.9 1.0
O2B D:UPG301 3.1 46.2 1.0
CG D:ASP130 3.5 63.6 1.0
PA D:UPG301 3.5 52.1 1.0
O3A D:UPG301 3.5 71.1 1.0
HA3 D:GLY256 3.7 72.1 1.0
O D:HOH406 3.8 61.8 1.0
HZ2 D:LYS25 3.9 75.1 1.0
HZ1 D:LYS25 4.1 75.1 1.0
OD1 D:ASP130 4.1 76.1 1.0
H5C1 D:UPG301 4.1 58.1 1.0
O6' D:UPG301 4.3 48.8 1.0
O3B D:UPG301 4.3 62.1 1.0
O1A D:UPG301 4.3 73.1 1.0
HB2 D:ASP130 4.3 53.8 1.0
H5' D:UPG301 4.4 69.1 1.0
NZ D:LYS25 4.4 62.6 1.0
O5' D:UPG301 4.5 65.3 1.0
HO6' D:UPG301 4.5 58.6 1.0
CB D:ASP130 4.6 44.8 1.0
OD1 D:ASP254 4.6 66.1 1.0
CA D:GLY256 4.6 60.1 1.0
O5C D:UPG301 4.7 37.1 1.0
HE3 D:LYS25 4.8 75.1 1.0
C5' D:UPG301 4.9 57.6 1.0
C1' D:UPG301 4.9 55.9 1.0
C5C D:UPG301 4.9 48.4 1.0
HB3 D:ASP130 5.0 53.8 1.0

Magnesium binding site 5 out of 8 in 8f73

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Magnesium binding site 5 out of 8 in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose


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 Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg302

b:52.2
occ:1.00
O E:HOH408 2.1 83.0 1.0
OD2 E:ASP130 2.2 67.1 1.0
O1B E:UPG301 2.5 55.2 1.0
O E:HOH402 2.5 72.1 1.0
O E:HOH401 2.5 87.3 1.0
O2A E:UPG301 2.5 81.3 1.0
O3A E:UPG301 2.9 54.8 1.0
PB E:UPG301 3.2 60.7 1.0
CG E:ASP130 3.3 61.1 1.0
PA E:UPG301 3.3 57.5 1.0
O6' E:UPG301 3.5 67.8 1.0
HA3 E:GLY256 3.6 76.9 1.0
OD1 E:ASP130 3.8 77.7 1.0
H5C1 E:UPG301 3.8 73.8 1.0
HO6' E:UPG301 3.9 81.3 1.0
O5' E:UPG301 4.2 53.1 1.0
O2B E:UPG301 4.2 67.0 1.0
HB2 E:ASP130 4.3 69.0 1.0
H3C E:UPG301 4.3 85.7 1.0
O1A E:UPG301 4.4 75.7 1.0
CB E:ASP130 4.4 57.5 1.0
O5C E:UPG301 4.4 52.3 1.0
O3B E:UPG301 4.4 74.0 1.0
H5' E:UPG301 4.5 58.7 1.0
C5C E:UPG301 4.5 61.5 1.0
CA E:GLY256 4.6 64.1 1.0
O E:HOH412 4.6 56.9 1.0
H1' E:UPG301 4.6 71.6 1.0
OD1 E:ASP131 4.6 79.2 1.0
C1' E:UPG301 4.7 59.6 1.0
C6' E:UPG301 4.7 52.6 1.0
OD1 E:ASP254 4.7 69.8 1.0
C5' E:UPG301 4.7 48.9 1.0
HB3 E:ASP130 4.8 69.0 1.0
HZ2 E:LYS25 4.8 77.4 1.0
H E:GLY256 4.8 73.9 1.0
HA2 E:GLY256 4.8 76.9 1.0
HD2 E:LYS25 5.0 64.6 1.0

Magnesium binding site 6 out of 8 in 8f73

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Magnesium binding site 6 out of 8 in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose


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 Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg302

b:61.8
occ:1.00
O F:HOH401 2.0 65.4 1.0
O2B F:UPG301 2.2 68.3 1.0
OD2 F:ASP130 2.2 60.6 1.0
O F:HOH405 2.2 53.6 1.0
O1A F:UPG301 2.2 58.5 1.0
O F:HOH402 2.2 52.5 1.0
HO6' F:UPG301 2.8 60.1 1.0
CG F:ASP130 3.3 62.4 1.0
PB F:UPG301 3.3 62.1 1.0
PA F:UPG301 3.4 61.2 1.0
O6' F:UPG301 3.5 50.0 1.0
O1B F:UPG301 3.7 59.1 1.0
O5C F:UPG301 3.7 56.0 1.0
OD1 F:ASP130 3.7 61.6 1.0
HA3 F:GLY256 3.8 72.0 1.0
O3A F:UPG301 3.8 68.9 1.0
HZ1 F:LYS25 3.9 86.5 1.0
O F:HOH407 4.1 46.4 1.0
H5' F:UPG301 4.2 75.5 1.0
O5' F:UPG301 4.3 53.1 1.0
HZ2 F:LYS25 4.4 86.5 1.0
HB2 F:ASP130 4.4 56.0 1.0
CB F:ASP130 4.5 46.7 1.0
O3B F:UPG301 4.5 68.7 1.0
C6' F:UPG301 4.6 56.1 1.0
C5' F:UPG301 4.6 63.0 1.0
NZ F:LYS25 4.6 72.1 1.0
H3C F:UPG301 4.7 84.7 1.0
O2A F:UPG301 4.7 60.8 1.0
OD1 F:ASP254 4.8 70.7 1.0
CA F:GLY256 4.8 60.0 1.0
OD1 F:ASP131 4.8 65.1 1.0
C1' F:UPG301 4.9 59.2 1.0
H6'2 F:UPG301 4.9 67.3 1.0
HB3 F:ASP130 4.9 56.0 1.0
H F:GLY256 4.9 81.1 1.0

Magnesium binding site 7 out of 8 in 8f73

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Magnesium binding site 7 out of 8 in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg302

b:57.1
occ:1.00
O1B G:UPG301 2.1 54.4 1.0
O G:HOH401 2.1 85.1 1.0
O G:HOH403 2.1 75.4 1.0
OD2 G:ASP130 2.2 61.9 1.0
O2A G:UPG301 2.3 91.7 1.0
O G:HOH405 2.4 68.2 1.0
PA G:UPG301 3.0 59.1 1.0
O5C G:UPG301 3.0 66.1 1.0
PB G:UPG301 3.2 67.7 1.0
O3A G:UPG301 3.3 70.6 1.0
CG G:ASP130 3.4 63.2 1.0
HO6' G:UPG301 3.7 70.5 1.0
HA3 G:GLY256 3.9 77.8 1.0
O6' G:UPG301 3.9 58.8 1.0
HZ2 G:LYS25 3.9 84.4 1.0
OD1 G:ASP130 4.0 64.4 1.0
O2B G:UPG301 4.1 63.0 1.0
O5' G:UPG301 4.1 56.5 1.0
HB2 G:ASP130 4.3 72.5 1.0
O3B G:UPG301 4.3 85.4 1.0
C5C G:UPG301 4.3 72.2 1.0
H3C G:UPG301 4.4 85.0 1.0
O1A G:UPG301 4.5 61.0 1.0
CB G:ASP130 4.5 60.5 1.0
H1' G:UPG301 4.5 81.0 1.0
H5C2 G:UPG301 4.5 86.7 1.0
H5' G:UPG301 4.6 68.4 1.0
C1' G:UPG301 4.6 67.5 1.0
HZ1 G:LYS25 4.7 84.4 1.0
NZ G:LYS25 4.7 70.3 1.0
C5' G:UPG301 4.8 57.0 1.0
OD1 G:ASP131 4.8 82.0 1.0
CA G:GLY256 4.8 64.8 1.0
HD12 G:LEU128 4.9 73.2 1.0
C6' G:UPG301 4.9 52.9 1.0
HB3 G:ASP130 4.9 72.5 1.0
OD1 G:ASP254 4.9 76.5 1.0
H5C1 G:UPG301 5.0 86.7 1.0
HD13 G:LEU128 5.0 73.2 1.0

Magnesium binding site 8 out of 8 in 8f73

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Magnesium binding site 8 out of 8 in the Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg302

b:66.5
occ:1.00
OD2 H:ASP130 2.0 71.8 1.0
O H:HOH403 2.1 93.6 1.0
O1B H:UPG301 2.2 56.5 1.0
O H:HOH401 2.2 59.5 1.0
O H:HOH402 2.2 79.4 1.0
O2A H:UPG301 2.3 59.4 1.0
CG H:ASP130 3.2 69.1 1.0
PB H:UPG301 3.4 64.8 1.0
H5C2 H:UPG301 3.4 76.2 1.0
HO6' H:UPG301 3.5 83.2 1.0
O6' H:UPG301 3.6 69.4 1.0
PA H:UPG301 3.6 55.7 1.0
HZ2 H:LYS25 3.7 92.0 1.0
HA3 H:GLY256 3.7 71.7 1.0
OD1 H:ASP130 3.8 73.4 1.0
O3A H:UPG301 3.8 73.4 1.0
O2B H:UPG301 4.0 44.8 1.0
HB2 H:ASP130 4.2 66.5 1.0
O5' H:UPG301 4.2 56.8 1.0
C5C H:UPG301 4.3 63.5 1.0
CB H:ASP130 4.3 55.4 1.0
HZ1 H:LYS25 4.3 92.0 1.0
OD1 H:ASP254 4.4 67.0 1.0
NZ H:LYS25 4.4 76.7 1.0
O5C H:UPG301 4.5 58.9 1.0
O3B H:UPG301 4.6 73.6 1.0
H5' H:UPG301 4.6 91.5 1.0
CA H:GLY256 4.7 59.7 1.0
H5C1 H:UPG301 4.7 76.2 1.0
HB3 H:ASP130 4.7 66.5 1.0
O1A H:UPG301 4.7 64.7 1.0
H3C H:UPG301 4.7 80.5 1.0
C6' H:UPG301 4.7 65.3 1.0
H H:GLY256 4.8 61.5 1.0
C5' H:UPG301 4.8 76.2 1.0
HZ3 H:LYS25 4.8 92.0 1.0
C1' H:UPG301 4.8 65.7 1.0
H1' H:UPG301 4.9 78.8 1.0
OD1 H:ASP131 4.9 80.6 1.0

Reference:

L.Dirr, J.Fuehring. Crystal Structure of Pseudomonas Aeruginosa Udp-Glucose Phosphorylase in Complex with Udp-Glucose To Be Published.
Page generated: Fri Oct 4 02:12:15 2024

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