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Magnesium in PDB 1xfz: Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride

Enzymatic activity of Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride

All present enzymatic activity of Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride:
4.6.1.1;

Protein crystallography data

The structure of Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride, PDB code: 1xfz 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) 29.99 / 3.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.258, 316.475, 140.801, 90.00, 89.91, 90.00
R / Rfree (%) 25.8 / 27

Other elements in 1xfz:

The structure of Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride also contains other interesting chemical elements:

Calcium (Ca) 18 atoms

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 6 in 1xfz

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Magnesium binding site 1 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride


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 in the Presence of 1 Millimolar Exogenously Added Calcium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg901

b:26.2
occ:1.00
 NE2 A:HIS577 2.2 49.2 1.0
OD2 A:ASP493 2.3 48.9 1.0
OD1 A:ASP491 2.6 62.0 1.0
OD2 A:ASP491 2.7 60.7 1.0
CE1 A:HIS577 3.0 49.4 1.0
CG A:ASP491 3.0 60.9 1.0
OD1 A:ASP493 3.0 49.5 1.0
CG A:ASP493 3.0 49.3 1.0
CD2 A:HIS577 3.3 48.8 1.0
O A:LYS346 4.2 54.7 1.0
ND1 A:HIS577 4.2 49.0 1.0
CG A:HIS577 4.4 48.2 1.0
CB A:ASP493 4.5 48.4 1.0
CB A:ASP491 4.5 59.1 1.0
O A:GLY347 5.0 57.4 1.0

Magnesium binding site 2 out of 6 in 1xfz

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Magnesium binding site 2 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride


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 in the Presence of 1 Millimolar Exogenously Added Calcium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg902

b:28.7
occ:1.00
 NE2 B:HIS577 2.1 48.6 1.0
OD2 B:ASP493 2.3 48.5 1.0
OD1 B:ASP491 2.4 62.4 1.0
OD2 B:ASP491 2.7 60.7 1.0
CG B:ASP491 2.9 61.0 1.0
CE1 B:HIS577 2.9 48.7 1.0
CG B:ASP493 3.1 49.2 1.0
OD1 B:ASP493 3.1 49.5 1.0
CD2 B:HIS577 3.3 49.1 1.0
O B:LYS346 4.0 55.4 1.0
ND1 B:HIS577 4.1 48.8 1.0
CG B:HIS577 4.3 48.4 1.0
CB B:ASP491 4.4 58.9 1.0
CB B:ASP493 4.5 48.0 1.0
O B:GLY347 5.0 57.0 1.0
CA B:ASP493 5.0 50.0 1.0

Magnesium binding site 3 out of 6 in 1xfz

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Magnesium binding site 3 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride


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 in the Presence of 1 Millimolar Exogenously Added Calcium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg903

b:27.6
occ:1.00
 NE2 C:HIS577 2.0 48.6 1.0
OD2 C:ASP493 2.2 49.5 1.0
OD1 C:ASP491 2.3 61.7 1.0
OD2 C:ASP491 2.7 59.6 1.0
CE1 C:HIS577 2.8 48.6 1.0
CG C:ASP491 2.9 60.2 1.0
CG C:ASP493 3.0 50.0 1.0
OD1 C:ASP493 3.1 49.9 1.0
CD2 C:HIS577 3.1 48.0 1.0
ND1 C:HIS577 4.0 48.0 1.0
O C:LYS346 4.1 55.7 1.0
CG C:HIS577 4.2 47.5 1.0
CB C:ASP491 4.4 58.8 1.0
CB C:ASP493 4.4 48.8 1.0
CA C:ASP493 4.9 50.4 1.0

Magnesium binding site 4 out of 6 in 1xfz

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Magnesium binding site 4 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride


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 in the Presence of 1 Millimolar Exogenously Added Calcium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg904

b:29.1
occ:1.00
 NE2 D:HIS577 2.2 49.1 1.0
OD2 D:ASP493 2.4 49.5 1.0
OD1 D:ASP491 2.5 62.6 1.0
OD2 D:ASP491 2.7 61.0 1.0
CG D:ASP491 3.0 61.1 1.0
CE1 D:HIS577 3.0 49.2 1.0
OD1 D:ASP493 3.1 51.0 1.0
CG D:ASP493 3.1 50.1 1.0
CD2 D:HIS577 3.3 49.1 1.0
O D:LYS346 4.0 55.9 1.0
ND1 D:HIS577 4.2 48.8 1.0
CG D:HIS577 4.3 48.2 1.0
CB D:ASP491 4.5 58.9 1.0
CB D:ASP493 4.6 48.7 1.0
O D:GLY347 4.9 58.2 1.0

Magnesium binding site 5 out of 6 in 1xfz

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Magnesium binding site 5 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride


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 in the Presence of 1 Millimolar Exogenously Added Calcium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg905

b:23.2
occ:1.00
 NE2 E:HIS577 2.2 48.9 1.0
OD2 E:ASP493 2.3 49.3 1.0
OD1 E:ASP491 2.5 61.5 1.0
OD2 E:ASP491 2.7 60.6 1.0
CG E:ASP491 2.9 60.5 1.0
CE1 E:HIS577 3.0 49.0 1.0
CG E:ASP493 3.1 49.9 1.0
OD1 E:ASP493 3.1 50.2 1.0
CD2 E:HIS577 3.3 48.8 1.0
O E:LYS346 4.1 55.5 1.0
ND1 E:HIS577 4.2 49.2 1.0
CG E:HIS577 4.3 48.1 1.0
CB E:ASP491 4.4 59.2 1.0
CB E:ASP493 4.5 48.7 1.0
O E:GLY347 4.9 57.3 1.0

Magnesium binding site 6 out of 6 in 1xfz

Go back to Magnesium Binding Sites List in 1xfz
Magnesium binding site 6 out of 6 in the Crystal Structure of Anthrax Edema Factor (Ef) in Complex with Calmodulin in the Presence of 1 Millimolar Exogenously Added Calcium Chloride


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 in the Presence of 1 Millimolar Exogenously Added Calcium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg906

b:25.2
occ:1.00
 NE2 F:HIS577 2.1 49.1 1.0
OD2 F:ASP493 2.4 50.1 1.0
OD1 F:ASP491 2.5 62.2 1.0
OD2 F:ASP491 2.8 61.1 1.0
CE1 F:HIS577 2.9 49.4 1.0
CG F:ASP491 3.0 61.3 1.0
CG F:ASP493 3.1 50.7 1.0
OD1 F:ASP493 3.1 50.6 1.0
CD2 F:HIS577 3.2 48.9 1.0
O F:LYS346 4.1 55.3 1.0
ND1 F:HIS577 4.1 49.3 1.0
CG F:HIS577 4.3 48.6 1.0
CB F:ASP491 4.5 59.7 1.0
CB F:ASP493 4.6 49.3 1.0
O F:GLY347 4.9 56.8 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 17:39:50 2024

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