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Magnesium in PDB 7shq: Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin.

Enzymatic activity of Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin.

All present enzymatic activity of Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin.:
2.7.11.20;

Protein crystallography data

The structure of Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin., PDB code: 7shq was solved by A.Piserchio, E.A.Isiorho, D.Jeruzalmi, K.N.Dalby, R.Ghose, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.66 / 2.34
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 58.495, 58.495, 365.779, 90, 90, 120
R / Rfree (%) 22.9 / 25.2

Other elements in 7shq:

The structure of Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin. also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Calcium (Ca) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin. (pdb code 7shq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin., PDB code: 7shq:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 7shq

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Magnesium binding site 1 out of 5 in the Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase 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 Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:34.3
occ:1.00
 O A:HOH929 2.0 20.4 1.0
O A:HOH980 2.1 39.0 1.0
O A:HOH901 2.1 40.0 1.0
O A:HOH918 2.4 17.1 1.0
OD1 A:ASP284 3.0 35.8 1.0
NE2 A:GLN286 3.5 27.5 1.0
CG A:ASP284 3.8 39.7 1.0
OD2 A:ASP284 3.9 38.0 1.0
O A:PRO285 4.3 12.6 1.0
OD2 A:ASP274 4.4 44.7 1.0
O A:ASP284 4.6 10.6 1.0
CD A:GLN286 4.7 25.1 1.0
O A:HOH928 4.8 22.2 1.0
CB A:GLN286 5.0 8.0 1.0

Magnesium binding site 2 out of 5 in 7shq

Go back to Magnesium Binding Sites List in 7shq
Magnesium binding site 2 out of 5 in the Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase 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 Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg803

b:42.6
occ:1.00
 O A:HOH987 2.1 34.1 1.0
O A:HOH943 2.3 32.2 1.0
O A:HOH1004 2.7 32.5 1.0
OD1 A:ASP297 3.9 49.6 1.0
O A:THR293 4.2 30.1 1.0
O A:GLY296 4.6 18.5 1.0
O A:GLY292 4.8 33.2 1.0
C A:GLY296 4.9 19.1 1.0
C A:THR293 5.0 32.8 1.0

Magnesium binding site 3 out of 5 in 7shq

Go back to Magnesium Binding Sites List in 7shq
Magnesium binding site 3 out of 5 in the Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase 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 Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg203

b:33.4
occ:1.00
 OD1 B:ASP24 2.0 31.9 1.0
O B:HOH312 2.1 34.4 1.0
O B:THR26 2.2 23.4 1.0
OD1 B:ASP20 2.4 42.0 1.0
CG B:ASP24 2.7 37.9 1.0
OD2 B:ASP22 2.8 42.9 1.0
OD1 B:ASP22 2.9 46.5 1.0
OD2 B:ASP24 2.9 31.7 1.0
CG B:ASP22 3.1 47.0 1.0
C B:THR26 3.4 29.7 1.0
CG B:ASP20 3.6 42.1 1.0
N B:ASP24 4.0 40.5 1.0
CB B:ASP24 4.0 31.1 1.0
N B:THR26 4.2 30.8 1.0
OG1 B:THR26 4.2 29.8 1.0
CA B:ASP20 4.3 32.2 1.0
N B:ILE27 4.3 32.3 1.0
CA B:ILE27 4.4 27.5 1.0
CA B:THR26 4.4 24.6 1.0
N B:GLY23 4.4 34.2 1.0
CB B:ASP20 4.4 35.2 1.0
CA B:ASP24 4.5 38.0 1.0
OD2 B:ASP20 4.5 33.4 1.0
CB B:ASP22 4.5 47.2 1.0
N B:ASP22 4.6 43.0 1.0
C B:ASP20 4.6 33.4 1.0
N B:GLY25 4.8 38.3 1.0
C B:ASP22 4.8 33.5 1.0
C B:ASP24 4.8 43.7 1.0
CA B:ASP22 4.8 42.0 1.0
OE1 B:GLU31 4.9 40.6 1.0
N B:LYS21 4.9 35.6 1.0
C B:GLY23 5.0 41.4 1.0
CB B:THR26 5.0 36.2 1.0

Magnesium binding site 4 out of 5 in 7shq

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Magnesium binding site 4 out of 5 in the Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase 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 Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg204

b:31.8
occ:1.00
 O B:HOH304 2.2 24.8 1.0
O B:THR62 2.2 38.1 1.0
O B:HOH313 2.3 21.6 1.0
O B:HOH309 2.4 21.6 1.0
OG1 B:THR62 2.6 44.4 1.0
C B:THR62 3.2 46.9 1.0
N B:THR62 3.6 35.3 1.0
OD1 B:ASP58 3.6 45.8 1.0
CA B:THR62 3.6 39.6 1.0
OD2 B:ASP58 3.7 38.2 1.0
CB B:THR62 3.7 40.7 1.0
OD1 B:ASP56 3.7 50.1 1.0
CB B:ASN60 4.0 45.2 1.0
CG B:ASP58 4.0 39.9 1.0
N B:ILE63 4.3 37.7 1.0
OE1 B:GLU67 4.4 27.8 1.0
OE2 B:GLU67 4.4 27.7 1.0
O B:VAL55 4.4 27.4 1.0
C B:GLY61 4.6 45.4 1.0
N B:GLY61 4.6 48.0 1.0
C B:ASN60 4.7 52.0 1.0
CA B:ASN60 4.8 42.8 1.0
CG2 B:THR62 4.8 42.9 1.0
CD B:GLU67 4.8 32.7 1.0
CA B:ILE63 4.8 26.1 1.0
O B:HOH317 4.9 20.3 1.0
CG B:ASP56 4.9 49.9 1.0
N B:ASN60 5.0 42.9 1.0

Magnesium binding site 5 out of 5 in 7shq

Go back to Magnesium Binding Sites List in 7shq
Magnesium binding site 5 out of 5 in the Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase 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 Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg205

b:27.2
occ:0.49
 O B:HOH306 2.1 22.3 1.0
OD2 B:ASP64 2.1 40.0 1.0
O B:HOH319 2.2 26.5 1.0
CG B:ASP64 2.9 31.0 1.0
OD1 B:ASP64 3.2 29.2 1.0
CB B:ASP64 4.0 29.7 1.0
CD B:GLU67 4.3 32.7 1.0
OE2 B:GLU67 4.4 27.7 1.0
OE1 B:GLU67 4.6 27.8 1.0
CG B:GLU67 4.7 21.1 1.0
O B:HOH309 4.9 21.6 1.0

Reference:

A.Piserchio, E.A.Isiorho, K.Long, A.L.Bohanon, E.A.Kumar, N.Will, D.Jeruzalmi, K.N.Dalby, R.Ghose. Structural Basis For the Calmodulin-Mediated Activation of Eukaryotic Elongation Factor 2 Kinase. Sci Adv V. 8 O2039 2022.
ISSN: ESSN 2375-2548
PubMed: 35857468
DOI: 10.1126/SCIADV.ABO2039
Page generated: Thu Oct 3 08:44:36 2024

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