Magnesium in PDB 9ocw: A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase

All present enzymatic activity of A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase:
2.7.11.20;

The structure of A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase, PDB code: 9ocw was solved by A.Piserchio, K.Long, E.A.Isiorho, K.Dalby, R.Ghose, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.39 / 2.27
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.766, 59.736, 88.766, 90, 98.5, 90
R / Rfree (%)	20 / 25.7

The structure of A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase (pdb code 9ocw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase, PDB code: 9ocw:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg706 b:36.2 occ:1.00 OD2 A:ASP333 2.6 35.0 1.0 N A:ASP333 2.7 32.8 1.0 NE2 A:HIS408 3.0 19.8 1.0 O A:SER381 3.1 30.8 1.0 CD1 A:PHE332 3.3 20.2 1.0 CB A:ASP333 3.3 27.7 1.0 CG A:ASP333 3.3 30.4 1.0 CE1 A:HIS408 3.4 21.9 1.0 CE1 A:PHE332 3.5 15.5 1.0 CA A:ASP333 3.5 34.2 1.0 CG A:PHE332 3.6 20.5 1.0 C A:PHE332 3.6 27.6 1.0 CA A:PHE332 3.7 21.0 1.0 CZ A:PHE332 4.0 17.1 1.0 O A:ASP333 4.0 22.6 1.0 CD2 A:LEU404 4.1 22.9 1.0 CD2 A:PHE332 4.1 14.8 1.0 C A:SER381 4.1 27.1 1.0 CD1 A:LEU404 4.1 25.4 1.0 N A:VAL383 4.2 38.1 1.0 CB A:PHE332 4.2 22.3 1.0 C A:ASP333 4.2 29.2 1.0 CG1 A:VAL383 4.2 30.1 1.0 CE2 A:PHE332 4.3 20.4 1.0 CD2 A:HIS408 4.3 19.5 1.0 CA A:ALA382 4.3 27.9 1.0 CG A:LEU404 4.3 21.1 1.0 OD1 A:ASP333 4.5 29.1 1.0 C A:ALA382 4.6 28.6 1.0 N A:ALA382 4.6 32.0 1.0 ND1 A:HIS408 4.7 17.5 1.0 O A:PHE332 4.7 29.9 1.0 O A:PRO331 4.8 35.1 1.0 CG2 A:VAL383 4.9 35.6 1.0 N A:PHE332 4.9 25.7 1.0 CB A:VAL383 5.0 27.5 1.0

Magnesium binding site 2 out of 3 in the A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg707 b:34.7 occ:1.00 O A:HOH905 2.1 35.1 1.0 O A:HOH871 2.4 28.4 1.0 O A:HOH937 2.6 32.5 1.0 O A:HOH901 3.4 24.1 1.0 O A:HOH815 3.8 25.3 1.0 OD1 A:ASP303 4.4 48.5 1.0 O A:HOH911 4.5 17.9 1.0 O A:HOH953 4.8 24.6 1.0 O A:GLY298 4.8 31.8 1.0 O A:THR299 4.9 29.2 1.0

Magnesium binding site 3 out of 3 in the A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of A Constitutively Active Construct of Eukaryotic Elongation Factor 2 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg708 b:36.4 occ:1.00 O2A A:ADP702 2.1 65.6 1.0 OE1 A:GLN282 2.6 36.2 1.0 OD2 A:PHD290 2.7 40.9 1.0 O1B A:ADP702 2.8 53.3 1.0 O1A A:ADP702 3.0 45.0 1.0 PA A:ADP702 3.0 54.5 1.0 NE2 A:GLN282 3.1 29.2 1.0 CD A:GLN282 3.2 24.5 1.0 HO3' A:ADP702 3.3 49.7 1.0 CG A:PHD290 3.5 37.4 1.0 CB A:PHD290 3.8 25.6 1.0 O3A A:ADP702 3.8 50.0 1.0 O3' A:ADP702 3.8 41.4 1.0 PB A:ADP702 3.9 51.6 1.0 H3' A:ADP702 4.0 48.8 1.0 OH A:TYR242 4.3 39.2 1.0 H5'1 A:ADP702 4.4 51.1 1.0 O5' A:ADP702 4.5 40.1 1.0 C3' A:ADP702 4.5 40.6 1.0 CG A:GLN282 4.7 22.1 1.0 OD1 A:PHD290 4.7 38.9 1.0 O2B A:ADP702 4.8 59.5 1.0 C5' A:ADP702 4.9 42.5 1.0 O3B A:ADP702 4.9 65.1 1.0 CE1 A:TYR242 4.9 38.8 1.0 O A:PHD290 4.9 28.4 1.0

K.J.Long, L.S.Browning, A.Piserchio, E.A.Isiorho, M.I.Gadallah, J.Douangvilay, E.Y.Wang, J.K.Kalugin, J.S.Brodbelt, R.Ghose, K.N.Dalby. The Critical Role of the C-Terminal Lobe of Calmodulin in Activating Eukaryotic Elongation Factor 2 Kinase. J.Biol.Chem. V. 301 10650 2025.
ISSN: ESSN 1083-351X
PubMed: 40885389
DOI: 10.1016/J.JBC.2025.110650