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Magnesium in PDB 2hsj: The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia.

Protein crystallography data

The structure of The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia., PDB code: 2hsj was solved by M.E.Cuff, R.Mulligan, J.Abdullah, 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) 40.46 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.032, 120.063, 84.743, 90.00, 99.48, 90.00
R / Rfree (%) 16 / 19.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia. (pdb code 2hsj). 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 Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia., PDB code: 2hsj:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in 2hsj

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Magnesium binding site 1 out of 7 in the The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1301

b:12.9
occ:1.00
 O A:VAL167 2.3 9.5 1.0
O A:ALA161 2.3 9.3 1.0
O A:TYR164 2.3 8.4 1.0
O A:HOH1449 2.6 17.8 1.0
C A:ALA161 3.3 9.3 1.0
C A:TYR164 3.4 9.8 1.0
C A:VAL167 3.5 10.3 1.0
CA A:SER162 4.0 8.0 0.5
CA A:SER162 4.1 9.1 0.5
N A:SER162 4.1 8.1 0.5
N A:SER162 4.1 8.7 0.5
N A:VAL167 4.1 9.6 1.0
N A:TYR164 4.2 9.2 1.0
CA A:MSE165 4.2 10.5 1.0
CA A:VAL167 4.2 10.1 1.0
N A:MSE165 4.2 10.0 1.0
O A:MSE165 4.2 10.7 1.0
C A:MSE165 4.3 10.8 1.0
C A:SER162 4.3 7.9 0.5
C A:SER162 4.3 8.5 0.5
CA A:ALA161 4.3 9.3 1.0
CA A:TYR164 4.4 9.2 1.0
O A:HOH1669 4.4 48.0 1.0
CB A:VAL167 4.4 10.8 1.0
N A:GLU168 4.5 9.6 1.0
O A:HOH1451 4.5 16.5 1.0
CB A:ALA161 4.6 10.4 1.0
O A:SER162 4.6 7.5 0.5
O A:SER162 4.7 8.1 0.5
CA A:GLU168 4.7 10.2 1.0
N A:ALA163 4.8 8.1 1.0
CB A:TYR164 5.0 10.5 1.0
N A:GLN166 5.0 10.8 1.0

Magnesium binding site 2 out of 7 in 2hsj

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Magnesium binding site 2 out of 7 in the The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1302

b:17.6
occ:1.00
 O B:HOH1701 2.0 15.6 1.0
O B:HOH1703 2.1 19.7 1.0
O B:HOH1539 4.1 26.0 1.0
OE1 B:GLN179 4.1 22.1 1.0
OE1 B:GLU186 4.1 10.7 1.0
O B:HOH1454 4.1 15.4 1.0
OE2 B:GLU186 4.2 11.0 1.0
CB B:ASP178 4.4 12.5 1.0
O B:HOH1599 4.5 40.8 1.0
CD B:GLU186 4.6 10.8 1.0

Magnesium binding site 3 out of 7 in 2hsj

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Magnesium binding site 3 out of 7 in the The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1305

b:14.1
occ:1.00
 O B:VAL167 2.3 11.2 1.0
O B:TYR164 2.3 14.8 1.0
O B:ALA161 2.3 12.6 1.0
O B:HOH1476 2.4 20.4 1.0
O B:HOH1465 2.5 20.7 1.0
O B:HOH1547 2.6 24.4 1.0
C B:TYR164 3.4 15.1 1.0
C B:ALA161 3.4 11.9 1.0
C B:VAL167 3.5 9.3 1.0
N B:VAL167 4.0 11.3 1.0
N B:TYR164 4.0 12.7 1.0
CA B:SER162 4.1 12.9 1.0
CA B:VAL167 4.2 10.5 1.0
N B:SER162 4.2 11.8 1.0
O B:MSE165 4.2 16.6 1.0
CA B:TYR164 4.3 13.3 1.0
C B:SER162 4.3 13.1 1.0
N B:MSE165 4.3 16.9 1.0
C B:MSE165 4.3 16.6 1.0
CA B:MSE165 4.3 18.7 1.0
CA B:ALA161 4.4 11.5 1.0
CB B:VAL167 4.4 10.3 1.0
O B:SER162 4.4 14.8 1.0
O B:HOH1460 4.5 16.7 1.0
N B:GLU168 4.6 9.5 1.0
CB B:ALA161 4.7 11.5 1.0
N B:ALA163 4.8 11.6 1.0
CA B:GLU168 4.8 9.8 1.0
CB B:TYR164 4.9 12.6 1.0
N B:GLN166 5.0 14.9 1.0

Magnesium binding site 4 out of 7 in 2hsj

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Magnesium binding site 4 out of 7 in the The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1306

b:34.7
occ:1.00
 O B:HOH1528 2.0 24.3 1.0
O D:HOH1517 2.0 24.4 1.0
O B:HOH1611 2.1 42.0 1.0
O D:HOH1676 2.5 48.8 1.0
O B:TYR211 2.5 29.6 1.0
O D:HOH1587 2.7 46.9 1.0
O D:HOH1681 2.7 44.2 1.0
C B:TYR211 3.6 27.8 1.0
NZ B:LYS85 3.7 21.6 1.0
OXT D:TYR211 3.8 23.5 1.0
OXT B:TYR211 3.9 29.6 1.0
OE2 D:GLU123 4.0 24.6 1.0
O D:HOH1491 4.2 30.4 1.0
OE2 B:GLU123 4.2 18.2 1.0
NZ D:LYS85 4.2 20.2 1.0
OE1 D:GLU123 4.2 19.9 1.0
OE1 B:GLU123 4.3 18.1 1.0
O B:HOH1706 4.3 48.7 1.0
CD D:GLU123 4.3 20.2 1.0
O D:HOH1486 4.4 23.1 1.0
CE B:LYS85 4.5 18.9 1.0
CD B:GLU123 4.6 14.3 1.0
O D:HOH1564 4.8 32.2 1.0
O B:HOH1529 4.8 28.0 1.0
CA B:TYR211 4.9 27.1 1.0
CE D:LYS85 5.0 19.8 1.0

Magnesium binding site 5 out of 7 in 2hsj

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Magnesium binding site 5 out of 7 in the The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1303

b:19.4
occ:1.00
 O C:HOH1729 2.0 19.5 1.0
O C:HOH1733 2.1 22.2 1.0
O C:HOH1754 2.2 22.7 1.0
O C:HOH1730 2.2 17.5 1.0
O C:ASN106 4.3 9.2 1.0
OD1 C:ASN106 4.5 16.4 1.0
O C:HOH1449 4.6 16.9 1.0
OE1 C:GLN113 4.6 21.0 1.0
OE1 C:GLU109 4.7 20.7 1.0
CB C:ALA110 4.8 8.5 1.0
O C:HOH1669 4.8 35.7 1.0
CB C:ASN106 4.8 9.6 1.0
CG C:ASN106 4.9 14.2 1.0
N C:ALA110 5.0 8.2 1.0

Magnesium binding site 6 out of 7 in 2hsj

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Magnesium binding site 6 out of 7 in the The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1304

b:10.5
occ:1.00
 O D:VAL167 2.3 9.9 1.0
O D:ALA161 2.3 10.0 1.0
O D:TYR164 2.3 9.2 1.0
O D:HOH1443 2.6 16.3 1.0
C D:ALA161 3.4 9.0 1.0
C D:TYR164 3.4 9.7 1.0
C D:VAL167 3.5 9.5 1.0
O D:HOH1526 4.0 34.3 1.0
CA D:SER162 4.0 8.7 1.0
N D:VAL167 4.1 9.5 1.0
N D:SER162 4.2 9.0 1.0
CA D:MSE165 4.2 9.8 1.0
N D:TYR164 4.2 9.6 1.0
CA D:VAL167 4.2 10.4 1.0
O D:MSE165 4.2 11.2 1.0
C D:MSE165 4.2 10.2 1.0
N D:MSE165 4.2 9.3 1.0
C D:SER162 4.3 8.0 1.0
CA D:TYR164 4.4 10.2 1.0
CA D:ALA161 4.4 9.1 1.0
CB D:VAL167 4.4 9.9 1.0
N D:GLU168 4.5 9.7 1.0
CB D:ALA161 4.6 9.1 1.0
O D:HOH1408 4.6 13.0 1.0
O D:SER162 4.7 9.0 1.0
CA D:GLU168 4.7 10.2 1.0
N D:ALA163 4.8 8.6 1.0
O D:HOH1483 4.8 23.8 1.0
N D:GLN166 4.9 9.8 1.0
CB D:TYR164 5.0 10.6 1.0

Magnesium binding site 7 out of 7 in 2hsj

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Magnesium binding site 7 out of 7 in the The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1307

b:32.7
occ:1.00
 O D:HOH1685 2.1 28.6 1.0
O D:HOH1682 2.1 29.8 1.0
O D:HOH1683 2.1 26.0 1.0
O D:HOH1684 2.3 34.5 1.0
O D:HOH1686 2.3 54.0 1.0
O D:HOH1627 3.8 46.9 1.0
O D:HOH1489 4.3 23.7 1.0
O D:HOH1573 4.3 40.5 1.0
OE2 D:GLU168 4.4 20.0 1.0
O D:ASP208 4.4 17.3 1.0
CD1 D:TYR209 4.4 16.3 1.0
OE1 D:GLU168 4.5 16.8 1.0
CE1 D:TYR209 4.6 15.9 1.0
CD D:GLU168 4.9 16.1 1.0
C D:ASP208 4.9 16.8 1.0
CA D:TYR209 4.9 14.0 1.0

Reference:

M.E.Cuff, R.Mulligan, J.Abdullah, A.Joachimiak. The Structure of A Putative Platelet Activating Factor From Streptococcus Pneumonia. To Be Published.
Page generated: Tue Aug 13 23:58:51 2024

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