Calcium in PDB 7shq: 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;

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

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
Magnesium	(Mg)	5 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of A Functional Construct of Eukaryotic Elongation Factor 2 Kinase in Complex with Calmodulin., PDB code: 7shq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 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 Calcium with other atoms in the Ca 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 B:Ca201 b:27.7 occ:1.00 OD1 B:ASP129 2.3 28.2 1.0 O B:HOH310 2.3 31.2 1.0 O B:GLN135 2.4 18.2 1.0 OE1 B:GLU140 2.5 31.3 1.0 OD1 B:ASP133 2.5 37.0 1.0 OE2 B:GLU140 2.8 39.1 1.0 CD B:GLU140 3.0 31.5 1.0 CB B:ASP131 3.1 35.8 1.0 CG B:ASP131 3.1 49.5 1.0 CG B:ASP133 3.3 29.4 1.0 OD2 B:ASP131 3.3 49.9 1.0 CG B:ASP129 3.4 30.9 1.0 C B:GLN135 3.5 32.7 1.0 OD2 B:ASP133 3.6 33.4 1.0 OD1 B:ASP131 3.8 58.2 1.0 N B:ASP131 3.9 39.8 1.0 CA B:ASP131 4.0 33.0 1.0 CB B:ASP129 4.2 32.4 1.0 CA B:ASP129 4.2 36.6 1.0 ND2 B:ASN137 4.3 47.9 1.0 OD2 B:ASP129 4.3 32.9 1.0 N B:GLN135 4.3 19.4 1.0 N B:VAL136 4.3 24.9 1.0 CA B:VAL136 4.4 14.2 1.0 N B:ASP133 4.4 29.3 1.0 N B:ASN137 4.4 14.7 1.0 CG B:GLU140 4.5 30.3 1.0 N B:GLY132 4.5 36.2 1.0 CA B:GLN135 4.5 30.8 1.0 CB B:ASP133 4.5 39.0 1.0 C B:ASP129 4.5 43.7 1.0 N B:ILE130 4.6 41.8 1.0 C B:ASP131 4.7 40.3 1.0 CG B:ASN137 4.8 40.5 1.0 C B:VAL136 4.9 10.5 1.0 CA B:ASP133 4.9 29.1 1.0 N B:GLY134 5.0 22.2 1.0

Calcium binding site 2 out of 2 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 Calcium with other atoms in the Ca 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 B:Ca202 b:17.9 occ:1.00 O B:TYR99 2.3 21.8 1.0 OD1 B:ASN97 2.4 17.0 1.0 OD1 B:ASP95 2.4 19.3 1.0 OD1 B:ASP93 2.4 36.1 1.0 OE2 B:GLU104 2.4 8.9 1.0 OE1 B:GLU104 2.5 18.3 1.0 O A:HOH956 2.7 22.5 1.0 CD B:GLU104 2.7 18.4 1.0 CG B:ASP95 3.2 23.5 1.0 CG B:ASN97 3.4 27.0 1.0 C B:TYR99 3.5 19.1 1.0 CG B:ASP93 3.6 26.2 1.0 OD2 B:ASP95 3.6 22.7 1.0 ND2 B:ASN97 4.1 17.9 1.0 N B:TYR99 4.2 31.4 1.0 CG B:GLU104 4.2 22.3 1.0 OD2 A:ASP208 4.3 29.1 1.0 N B:ASN97 4.3 31.4 1.0 OD2 B:ASP93 4.3 32.0 1.0 CA B:ASP93 4.3 26.8 1.0 N B:ASP95 4.4 27.1 1.0 CB B:ASN97 4.4 23.9 1.0 CA B:TYR99 4.4 27.6 1.0 CB B:ASP95 4.4 25.5 1.0 CB B:ASP93 4.5 26.6 1.0 N B:ILE100 4.5 22.5 1.0 C B:ASP93 4.5 25.5 1.0 N B:LYS94 4.6 14.7 1.0 CA B:ILE100 4.6 23.1 1.0 N B:GLY96 4.7 33.8 1.0 N B:SER101 4.7 23.5 1.0 CB B:TYR99 4.7 25.3 1.0 CA B:ASN97 4.8 34.4 1.0 CA B:ASP95 4.8 32.1 1.0 OG B:SER101 4.9 19.1 1.0 NZ A:LYS192 5.0 21.9 1.0

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