Magnesium in PDB 4ysj: Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp

The structure of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp, PDB code: 4ysj was solved by E.A.Merritt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.57 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.536, 108.415, 109.800, 90.00, 90.00, 90.00
R / Rfree (%)	24.6 / 29.2

The structure of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

The binding sites of Magnesium atom in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp (pdb code 4ysj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp, PDB code: 4ysj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg505 b:42.1 occ:0.67 O1A A:ADP506 2.1 36.5 0.7 O1B A:ADP506 2.2 31.0 0.7 OD2 A:ASP172 2.2 76.1 1.0 OD1 A:ASN156 2.2 69.0 1.0 O A:HOH601 2.2 40.1 0.7 CG A:ASN156 3.2 64.6 1.0 CG A:ASP172 3.3 72.3 1.0 PB A:ADP506 3.4 41.8 0.7 PA A:ADP506 3.5 43.6 0.7 ND2 A:ASN156 3.6 68.8 1.0 CB A:ASP172 3.8 68.1 1.0 O3A A:ADP506 3.8 44.8 0.7 O3B A:ADP506 3.9 42.0 0.7 C5' A:ADP506 4.1 46.2 0.7 O3' A:ADP506 4.2 49.4 0.7 O5' A:ADP506 4.3 47.0 0.7 OD1 A:ASP172 4.4 77.6 1.0 CB A:ASN156 4.6 60.9 1.0 O2A A:ADP506 4.7 43.8 0.7 O A:GLU155 4.7 60.9 1.0 O2B A:ADP506 4.7 40.0 0.7 CE A:LYS153 4.7 63.5 1.0 C3' A:ADP506 4.8 41.6 0.7 OD2 A:ASP151 4.9 65.9 1.0 CA A:ASN156 4.9 59.6 1.0 C4' A:ADP506 5.0 42.1 0.7 C A:GLU155 5.0 61.3 1.0

Magnesium binding site 2 out of 2 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg505 b:40.1 occ:0.67 O1B B:ADP506 2.2 28.5 0.7 OD1 B:ASN156 2.2 67.9 1.0 OD2 B:ASP172 2.2 71.8 1.0 O1A B:ADP506 2.2 30.4 0.7 O B:HOH601 2.2 41.4 0.7 CG B:ASN156 3.2 62.3 1.0 CG B:ASP172 3.3 66.5 1.0 PB B:ADP506 3.4 39.1 0.7 PA B:ADP506 3.5 35.5 0.7 ND2 B:ASN156 3.5 63.4 1.0 CB B:ASP172 3.7 62.2 1.0 O3A B:ADP506 3.9 36.3 0.7 O3B B:ADP506 4.0 49.0 0.7 O3' B:ADP506 4.1 40.5 0.7 OD1 B:ASP172 4.3 70.9 1.0 C5' B:ADP506 4.4 43.3 0.7 O5' B:ADP506 4.4 43.5 0.7 CB B:ASN156 4.5 60.2 1.0 O B:GLU155 4.7 62.5 1.0 O2A B:ADP506 4.7 37.0 0.7 CE B:LYS153 4.7 59.2 1.0 O2B B:ADP506 4.7 37.7 0.7 C3' B:ADP506 4.7 37.0 0.7 OD2 B:ASP151 4.8 63.4 1.0 CA B:ASN156 4.9 60.2 1.0 C B:GLU155 4.9 61.6 1.0 C4' B:ADP506 5.0 38.4 0.7

K.K.Ojo, R.Vidadala, D.J.Maly, W.C.Van Voorhis, E.A.Merritt. Cdpk Is A Druggable Target in the Apicomplexan Parasite Eimeria To Be Published.