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Magnesium in PDB 1xfy: Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin

Enzymatic activity of Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin

All present enzymatic activity of Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin:
4.6.1.1;

Protein crystallography data

The structure of Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin, PDB code: 1xfy was solved by Y.Shen, N.L.Zhukovskaya, Q.Guo, J.Florian, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 3.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 315.622, 182.044, 141.024, 90.00, 89.93, 90.00
R / Rfree (%) 26.9 / 28.9

Other elements in 1xfy:

The structure of Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin also contains other interesting chemical elements:

Calcium (Ca) 12 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin (pdb code 1xfy). 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 Anthrax Edema Factor (Ef) in Complex with Calmodulin, PDB code: 1xfy:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 1xfy

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Magnesium binding site 1 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin


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 Anthrax Edema Factor (Ef) in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg900

b:23.9
occ:1.00
 NE2 A:HIS577 2.4 42.2 1.0
OD2 A:ASP493 2.5 44.3 1.0
OD2 A:ASP491 2.6 58.2 1.0
OD1 A:ASP491 2.6 56.0 1.0
OD1 A:ASP493 2.8 43.9 1.0
CG A:ASP491 3.0 56.1 1.0
CG A:ASP493 3.0 44.8 1.0
CE1 A:HIS577 3.1 43.2 1.0
CD2 A:HIS577 3.5 42.9 1.0
O A:LYS346 4.0 45.8 1.0
ND1 A:HIS577 4.3 42.9 1.0
CG A:LYS346 4.4 49.3 1.0
O A:GLY347 4.4 53.1 1.0
CB A:ASP491 4.5 53.6 1.0
CG A:HIS577 4.5 42.8 1.0
CB A:ASP493 4.5 44.0 1.0
C A:LYS346 4.8 46.7 1.0
C A:GLY347 4.9 52.8 1.0
CA A:GLY347 5.0 50.5 1.0

Magnesium binding site 2 out of 6 in 1xfy

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Magnesium binding site 2 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin


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 Anthrax Edema Factor (Ef) in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg901

b:16.2
occ:1.00
 NE2 B:HIS577 2.4 40.8 1.0
OD2 B:ASP491 2.6 60.3 1.0
OD2 B:ASP493 2.6 42.8 1.0
OD1 B:ASP491 2.6 59.3 1.0
CG B:ASP491 2.9 58.0 1.0
OD1 B:ASP493 3.0 43.5 1.0
CG B:ASP493 3.1 44.3 1.0
CE1 B:HIS577 3.2 42.5 1.0
CD2 B:HIS577 3.5 42.4 1.0
O B:LYS346 3.8 47.2 1.0
CG B:LYS346 4.2 49.4 1.0
O B:GLY347 4.3 54.3 1.0
CB B:ASP491 4.4 54.7 1.0
ND1 B:HIS577 4.4 42.6 1.0
CG B:HIS577 4.6 42.5 1.0
CB B:ASP493 4.7 43.0 1.0
C B:LYS346 4.7 46.9 1.0
C B:GLY347 4.8 53.9 1.0
CA B:GLY347 4.8 51.1 1.0
CD B:LYS346 4.9 50.6 1.0

Magnesium binding site 3 out of 6 in 1xfy

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Magnesium binding site 3 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin


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 Anthrax Edema Factor (Ef) in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg902

b:23.5
occ:1.00
 NE2 C:HIS577 2.3 43.9 1.0
OD2 C:ASP493 2.4 45.0 1.0
OD2 C:ASP491 2.6 55.8 1.0
OD1 C:ASP491 2.6 53.6 1.0
OD1 C:ASP493 2.8 45.4 1.0
CG C:ASP491 2.9 53.6 1.0
CG C:ASP493 3.0 45.3 1.0
CE1 C:HIS577 3.0 45.2 1.0
CD2 C:HIS577 3.5 44.7 1.0
O C:LYS346 4.0 45.0 1.0
ND1 C:HIS577 4.3 43.9 1.0
CB C:ASP491 4.4 51.8 1.0
CB C:ASP493 4.4 43.9 1.0
CG C:LYS346 4.5 49.2 1.0
CG C:HIS577 4.5 44.1 1.0
O C:GLY347 4.5 52.7 1.0
C C:LYS346 4.9 46.3 1.0
C C:GLY347 5.0 52.7 1.0

Magnesium binding site 4 out of 6 in 1xfy

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Magnesium binding site 4 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin


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 Anthrax Edema Factor (Ef) in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg903

b:21.1
occ:1.00
 NE2 D:HIS577 2.4 43.7 1.0
OD2 D:ASP493 2.5 44.8 1.0
OD2 D:ASP491 2.6 57.7 1.0
OD1 D:ASP491 2.7 57.9 1.0
OD1 D:ASP493 2.9 42.8 1.0
CG D:ASP491 3.0 56.5 1.0
CG D:ASP493 3.1 44.6 1.0
CE1 D:HIS577 3.2 45.0 1.0
CD2 D:HIS577 3.5 45.2 1.0
O D:LYS346 3.9 45.1 1.0
CG D:LYS346 4.3 48.9 1.0
O D:GLY347 4.3 53.1 1.0
ND1 D:HIS577 4.4 44.5 1.0
CB D:ASP491 4.4 53.7 1.0
CG D:HIS577 4.6 44.9 1.0
CB D:ASP493 4.6 43.2 1.0
C D:LYS346 4.8 46.6 1.0
C D:GLY347 4.9 53.1 1.0
CA D:GLY347 4.9 51.2 1.0
CD D:LYS346 4.9 50.9 1.0

Magnesium binding site 5 out of 6 in 1xfy

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Magnesium binding site 5 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin


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 Anthrax Edema Factor (Ef) in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg904

b:23.3
occ:1.00
 NE2 E:HIS577 2.3 41.4 1.0
OD1 E:ASP491 2.5 57.8 1.0
OD2 E:ASP493 2.6 43.7 1.0
OD2 E:ASP491 2.6 58.7 1.0
CG E:ASP491 2.8 57.1 1.0
OD1 E:ASP493 3.0 44.9 1.0
CG E:ASP493 3.1 45.3 1.0
CE1 E:HIS577 3.2 42.0 1.0
CD2 E:HIS577 3.4 42.7 1.0
O E:LYS346 3.7 44.8 1.0
CG E:LYS346 4.3 47.4 1.0
O E:GLY347 4.3 51.2 1.0
CB E:ASP491 4.3 54.1 1.0
ND1 E:HIS577 4.3 42.3 1.0
CG E:HIS577 4.5 42.3 1.0
C E:LYS346 4.6 45.6 1.0
CB E:ASP493 4.6 43.8 1.0
CA E:GLY347 4.8 49.5 1.0
C E:GLY347 4.8 51.5 1.0
CD E:LYS346 5.0 49.7 1.0

Magnesium binding site 6 out of 6 in 1xfy

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Magnesium binding site 6 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin


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 Anthrax Edema Factor (Ef) in Complex with Calmodulin within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg905

b:17.4
occ:1.00
 NE2 F:HIS577 2.3 44.6 1.0
OD2 F:ASP493 2.5 45.1 1.0
OD2 F:ASP491 2.7 59.1 1.0
OD1 F:ASP491 2.7 57.9 1.0
OD1 F:ASP493 2.8 45.9 1.0
CG F:ASP491 3.0 57.2 1.0
CG F:ASP493 3.0 45.6 1.0
CE1 F:HIS577 3.1 45.5 1.0
CD2 F:HIS577 3.4 45.6 1.0
O F:LYS346 4.0 44.8 1.0
ND1 F:HIS577 4.3 45.6 1.0
CG F:LYS346 4.4 46.5 1.0
O F:GLY347 4.4 52.9 1.0
CB F:ASP491 4.5 54.1 1.0
CG F:HIS577 4.5 45.0 1.0
CB F:ASP493 4.5 44.1 1.0
C F:LYS346 4.8 45.5 1.0
C F:GLY347 4.9 52.5 1.0
CA F:GLY347 5.0 49.9 1.0

Reference:

Y.Shen, N.L.Zhukovskaya, Q.Guo, J.Florian, W.J.Tang. Calcium-Independent Calmodulin Binding and Two-Metal-Ion Catalytic Mechanism of Anthrax Edema Factor. Embo J. V. 24 929 2005.
ISSN: ISSN 0261-4189
PubMed: 15719022
DOI: 10.1038/SJ.EMBOJ.7600574
Page generated: Tue Aug 13 17:39:51 2024

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