Calcium 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:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	1 atom

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

Calcium 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 Calcium with other atoms in the Ca 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:Ca602 b:38.6 occ:1.00 O A:HOH748 2.1 50.5 1.0 O A:MET399 2.2 47.0 1.0 OD1 A:ASP393 2.2 44.8 1.0 OD1 A:ASN395 2.3 44.3 1.0 OD1 A:ASP397 2.4 40.6 1.0 OE1 A:GLU404 2.4 41.2 1.0 OE2 A:GLU404 2.5 40.3 1.0 CD A:GLU404 2.8 42.0 1.0 CG A:ASN395 3.3 45.7 1.0 CG A:ASP397 3.4 46.0 1.0 CG A:ASP393 3.4 45.0 1.0 C A:MET399 3.4 42.5 1.0 OD2 A:ASP397 3.8 49.1 1.0 ND2 A:ASN395 3.9 50.4 1.0 N A:MET399 4.1 46.7 1.0 OD2 A:ASP393 4.2 44.0 1.0 N A:ASP397 4.2 42.6 1.0 N A:ASN395 4.3 46.8 1.0 CA A:ASP393 4.3 45.2 1.0 CA A:MET399 4.3 39.2 1.0 N A:LEU400 4.4 43.8 1.0 CG A:GLU404 4.4 40.0 1.0 CB A:ASP393 4.4 43.7 1.0 CA A:LEU400 4.4 44.3 1.0 OD2 A:ASP401 4.5 62.8 1.0 CB A:ASN395 4.5 47.1 1.0 C A:ASP393 4.5 46.1 1.0 CB A:ASP397 4.6 41.7 1.0 N A:ASN396 4.6 45.3 1.0 N A:THR394 4.6 46.0 1.0 N A:ASP401 4.6 44.6 1.0 CA A:ASN395 4.7 45.5 1.0 C A:ASN395 4.7 46.4 1.0 CA A:ASP397 4.8 41.2 1.0 N A:GLY398 4.8 39.8 1.0 CB A:MET399 4.8 44.3 1.0 C A:ASP397 5.0 40.5 1.0 CG A:ASP401 5.0 56.4 1.0 O A:ASP393 5.0 41.3 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca603 b:50.7 occ:1.00 OD1 A:ASP443 2.2 48.9 1.0 OG A:SER447 2.4 51.8 1.0 O A:SER449 2.4 51.7 1.0 OD1 A:ASP445 2.4 56.3 1.0 OE1 A:GLU454 2.4 51.1 1.0 OE1 A:GLU451 2.5 56.1 1.0 OE2 A:GLU454 2.9 62.8 1.0 CD A:GLU454 3.0 55.2 1.0 CG A:ASP443 3.2 56.8 1.0 CD A:GLU451 3.2 60.4 1.0 CG A:ASP445 3.3 62.4 1.0 CB A:SER447 3.4 59.4 1.0 OE2 A:GLU451 3.4 63.1 1.0 OD2 A:ASP445 3.6 63.5 1.0 C A:SER449 3.6 49.3 1.0 N A:SER447 3.8 54.4 1.0 CA A:ASP443 4.0 57.5 1.0 OD2 A:ASP443 4.1 56.1 1.0 CB A:ASP443 4.1 59.7 1.0 N A:GLU451 4.1 46.3 1.0 CA A:SER447 4.2 56.3 1.0 N A:SER449 4.3 46.1 1.0 CA A:ILE450 4.4 41.2 1.0 C A:ASP443 4.5 53.8 1.0 N A:ILE450 4.5 45.6 1.0 CG A:GLU454 4.5 54.4 1.0 CG A:GLU451 4.6 53.1 1.0 N A:ASP445 4.6 59.3 1.0 CB A:ASP445 4.6 59.7 1.0 CA A:SER449 4.6 48.2 1.0 N A:GLY446 4.7 57.5 1.0 C A:ILE450 4.8 46.8 1.0 N A:GLY448 4.8 53.5 1.0 C A:SER447 4.8 55.3 1.0 CB A:GLU451 4.8 50.3 1.0 N A:MET444 4.8 64.5 1.0 CA A:ASP445 5.0 59.8 1.0 C A:ASP445 5.0 61.3 1.0 C A:GLY446 5.0 60.8 1.0 OG A:SER449 5.0 60.2 1.0 O A:ASP443 5.0 57.6 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.