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Magnesium in PDB 3fg9: The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1

Protein crystallography data

The structure of The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1, PDB code: 3fg9 was solved by K.Tan, H.Li, G.Cobb, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.60 / 1.47
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 38.355, 118.949, 191.974, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1 (pdb code 3fg9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1, PDB code: 3fg9:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in 3fg9

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Magnesium binding site 1 out of 7 in the The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg154

b:19.7
occ:0.60
 O E:HOH384 2.0 33.4 1.0
O A:HOH705 2.0 32.1 1.0
O E:HOH556 2.0 29.1 1.0
O A:HOH256 2.0 29.1 1.0
O E:HOH555 2.1 30.2 1.0
O E:HOH698 3.7 31.3 1.0
O E:HOH493 3.9 33.3 1.0
NH2 A:ARG14 4.1 16.1 1.0
O A:HOH444 4.1 33.0 1.0
OD1 E:ASP22 4.3 24.5 1.0
OD2 E:ASP22 4.3 24.1 1.0
O E:ASP23 4.4 24.6 1.0
O A:HOH871 4.4 33.9 1.0
OE2 A:GLU94 4.5 22.1 1.0
O A:HOH627 4.6 32.7 1.0
CG E:ASP22 4.7 22.2 1.0
NH1 A:ARG14 4.8 16.7 1.0
CZ A:ARG14 4.9 15.0 1.0

Magnesium binding site 2 out of 7 in 3fg9

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Magnesium binding site 2 out of 7 in the The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg154

b:14.8
occ:0.80
 O B:HOH848 1.9 23.7 1.0
O B:HOH770 2.1 22.1 1.0
O B:HOH850 2.1 18.5 1.0
O B:HOH849 2.1 21.1 1.0
O B:HOH659 2.1 26.7 1.0
NE2 B:HIS39 2.2 14.1 1.0
CE1 B:HIS39 3.1 13.2 1.0
CD2 B:HIS39 3.2 12.6 1.0
O E:HOH156 4.2 15.2 1.0
ND1 B:HIS39 4.3 10.6 1.0
O B:HOH559 4.3 29.2 1.0
O B:HOH773 4.4 35.4 1.0
CG B:HIS39 4.4 9.6 1.0
O B:HOH777 4.4 33.3 1.0
O B:ARG88 4.5 13.8 1.0
O E:HOH314 4.5 29.1 1.0
O B:HOH516 4.5 28.8 1.0
O B:HOH189 4.5 33.3 1.0
O E:HOH719 4.6 28.6 1.0
NH1 B:ARG88 4.8 12.5 1.0

Magnesium binding site 3 out of 7 in 3fg9

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Magnesium binding site 3 out of 7 in the The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg154

b:20.0
occ:0.80
 O C:HOH374 2.0 24.1 1.0
O A:HOH640 2.0 21.9 1.0
O C:HOH847 2.0 31.4 1.0
O C:HOH771 2.1 25.8 1.0
O A:HOH347 2.1 26.3 1.0
O A:HOH648 2.2 22.3 1.0
O A:HOH593 3.8 26.5 1.0
O A:HOH521 4.0 28.1 1.0
O C:HOH176 4.0 30.4 1.0
NH2 C:ARG14 4.1 14.9 1.0
O C:HOH677 4.2 29.0 1.0
O C:HOH588 4.2 31.1 1.0
OD1 A:ASP22 4.2 21.3 1.0
OD2 A:ASP22 4.2 20.5 1.0
O A:ASP23 4.3 18.0 1.0
O C:HOH387 4.4 31.1 1.0
OE2 C:GLU94 4.5 19.3 1.0
CG A:ASP22 4.7 16.5 1.0
CZ C:ARG14 4.9 11.9 1.0
NH1 C:ARG14 4.9 14.5 1.0
OE1 C:GLU94 5.0 22.7 1.0

Magnesium binding site 4 out of 7 in 3fg9

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Magnesium binding site 4 out of 7 in the The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg154

b:24.6
occ:0.80
 O D:HOH932 2.0 41.3 1.0
O D:HOH809 2.0 37.0 1.0
O D:HOH169 2.0 32.6 1.0
NE2 D:HIS39 2.2 21.0 1.0
O D:HOH554 2.2 26.0 1.0
O D:HOH933 2.3 39.6 1.0
CE1 D:HIS39 3.1 19.8 1.0
CD2 D:HIS39 3.2 18.6 1.0
O A:HOH157 4.1 16.1 0.7
ND1 D:HIS39 4.2 16.7 1.0
CG D:HIS39 4.3 17.0 1.0
O D:HOH934 4.4 44.5 1.0
O D:HOH935 4.4 42.1 1.0
O D:HOH208 4.5 29.6 1.0
O D:ARG88 4.5 23.1 1.0
NH1 D:ARG88 4.7 17.8 1.0

Magnesium binding site 5 out of 7 in 3fg9

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Magnesium binding site 5 out of 7 in the The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg154

b:21.9
occ:0.80
 O E:HOH581 2.0 33.8 1.0
O E:HOH448 2.0 28.8 1.0
O E:HOH846 2.0 31.1 1.0
NH2 E:ARG14 3.9 24.9 0.5
O E:HOH691 3.9 31.6 1.0
O E:HOH217 4.1 33.8 1.0
O E:HOH495 4.2 29.7 1.0
NH2 E:ARG14 4.2 12.4 0.5
OE2 E:GLU94 4.3 22.1 1.0
NH1 E:ARG14 4.4 25.8 0.5
O E:HOH243 4.5 34.4 1.0
CZ E:ARG14 4.6 23.4 0.5
OE1 E:GLU94 4.8 26.1 1.0
CZ E:ARG14 5.0 9.0 0.5
NH1 E:ARG14 5.0 9.8 0.5

Magnesium binding site 6 out of 7 in 3fg9

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Magnesium binding site 6 out of 7 in the The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg155

b:26.9
occ:0.70
 O B:HOH157 2.0 25.9 1.0
O E:HOH421 2.1 26.1 1.0
O E:HOH511 2.2 34.4 1.0
O E:HOH669 2.2 28.6 1.0
OG E:SER61 3.7 18.7 1.0
O B:HOH360 4.1 28.0 1.0
CB E:SER61 4.5 16.2 1.0
O B:HOH465 4.5 35.1 1.0
OD2 B:ASP42 4.7 18.5 1.0
N E:SER61 4.7 14.1 1.0
CB B:ASP42 4.8 13.0 1.0
O E:HOH183 4.8 27.3 1.0

Magnesium binding site 7 out of 7 in 3fg9

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Magnesium binding site 7 out of 7 in the The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg154

b:22.2
occ:0.50
 O F:HOH886 2.0 44.5 1.0
O F:HOH851 2.0 42.0 1.0
NE2 F:HIS39 2.1 23.3 1.0
CE1 F:HIS39 3.0 22.5 1.0
CD2 F:HIS39 3.2 21.1 1.0
ND1 F:HIS39 4.1 18.4 1.0
O F:HOH936 4.2 36.2 1.0
O F:HOH805 4.2 38.7 1.0
CG F:HIS39 4.3 17.9 1.0
O F:ARG88 4.6 23.7 1.0
NH1 F:ARG88 4.8 20.2 1.0

Reference:

K.Tan, H.Li, G.Cobb, A.Joachimiak. The Crystal Structure of An Universal Stress Protein Uspa Family Protein From Lactobacillus Plantarum WCFS1 To Be Published.
Page generated: Wed Aug 14 13:46:31 2024

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