Magnesium in PDB 9d8s: Crystal Structure of Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound)

The structure of Crystal Structure of Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound), PDB code: 9d8s was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.53 / 2.12
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.746, 55.746, 81.954, 90, 105.64, 90
R / Rfree (%)	20.9 / 24.3

The structure of Crystal Structure of Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound) also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound) (pdb code 9d8s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound), PDB code: 9d8s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound)


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 Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:41.5 occ:1.00 O2P A:AMP601 2.2 48.2 1.0 O A:HOH754 2.3 47.5 1.0 OD1 A:ASN203 2.4 39.8 1.0 OD2 A:ASP219 2.4 43.9 1.0 O A:HOH701 2.5 44.0 1.0 CG A:ASP219 3.4 46.9 1.0 CG A:ASN203 3.5 40.9 1.0 O A:HOH704 3.6 61.7 1.0 P A:AMP601 3.7 43.1 1.0 CB A:ASP219 3.8 38.2 1.0 ND2 A:ASN203 4.1 36.4 1.0 O3' A:AMP601 4.3 56.2 1.0 O3P A:AMP601 4.3 45.9 1.0 C5' A:AMP601 4.4 47.8 1.0 O5' A:AMP601 4.4 41.8 1.0 OD1 A:ASP219 4.4 48.1 1.0 O1P A:AMP601 4.6 44.2 1.0 O A:GLU202 4.6 34.2 1.0 CB A:ASN203 4.7 30.5 1.0 C3' A:AMP601 4.9 47.5 1.0 CA A:ASN203 4.9 27.7 1.0 CD1 A:ILE218 4.9 39.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound)


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 Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg605 b:55.2 occ:1.00 OG A:SER146 2.6 50.8 1.0 CB A:SER146 3.1 45.7 1.0 OD1 A:ASP144 3.2 46.4 1.0 N A:SER146 3.3 45.0 1.0 OD2 A:ASP144 3.3 44.3 1.0 CG A:ASP144 3.3 48.3 1.0 OG A:SER145 3.4 43.6 1.0 CA A:SER146 3.8 44.8 1.0 N A:SER145 4.0 42.4 1.0 C A:SER145 4.2 43.1 1.0 CB A:ASP144 4.3 43.6 1.0 CA A:SER145 4.4 46.8 1.0 CB A:SER145 4.5 40.1 1.0 C A:ASP144 4.7 49.0 1.0 C A:SER146 4.8 48.7 1.0 N A:SER147 4.8 40.7 1.0 OH A:TYR149 5.0 49.6 1.0

L.Liu, A.Cooper, S.Lovell, K.P.Battaile. Crystal Structure of Calcium-Dependent Protein Kinase 1 (CDPK1) From Cryptosporidium Parvum (Amp/Mg Bound) To Be Published.