Calcium in PDB 4y5q: Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp

The structure of Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp, PDB code: 4y5q was solved by E.A.Merritt, E.T.Larson, Medical Structural Genomics Of Pathogenicprotozoa (Msgpp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.38 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.070, 55.890, 81.450, 90.00, 104.79, 90.00
R / Rfree (%)	18.3 / 23

The binding sites of Calcium atom in the Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp (pdb code 4y5q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp, PDB code: 4y5q:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:42.2 occ:1.00 O A:HOH796 2.1 54.6 1.0 O A:MET399 2.3 44.8 1.0 OD1 A:ASP397 2.3 43.1 1.0 OD1 A:ASP393 2.3 46.4 1.0 OD1 A:ASN395 2.4 48.4 1.0 OE1 A:GLU404 2.4 40.8 1.0 OE2 A:GLU404 2.4 44.8 1.0 CD A:GLU404 2.8 41.7 1.0 CG A:ASP397 3.3 46.3 1.0 CG A:ASN395 3.4 47.7 1.0 C A:MET399 3.5 48.0 1.0 CG A:ASP393 3.5 42.1 1.0 OD2 A:ASP397 3.7 51.1 1.0 ND2 A:ASN395 4.0 48.6 1.0 N A:MET399 4.2 44.4 1.0 N A:ASP397 4.2 40.3 1.0 OD2 A:ASP393 4.3 45.0 1.0 CG A:GLU404 4.3 45.5 1.0 CA A:ASP393 4.3 46.8 1.0 CA A:LEU400 4.4 43.3 1.0 N A:LEU400 4.4 46.4 1.0 CB A:ASP393 4.4 40.8 1.0 N A:ASN395 4.4 43.6 1.0 CA A:MET399 4.4 48.4 1.0 CB A:ASP397 4.5 43.9 1.0 C A:ASP393 4.5 53.0 1.0 N A:ASP401 4.5 44.7 1.0 N A:THR394 4.6 55.0 1.0 CB A:ASN395 4.6 43.8 1.0 N A:ASN396 4.6 44.0 1.0 N A:GLY398 4.7 40.7 1.0 CA A:ASP397 4.7 43.8 1.0 C A:ASN395 4.8 44.1 1.0 CA A:ASN395 4.9 43.7 1.0 CG A:MET399 4.9 58.2 1.0 C A:LEU400 4.9 40.6 1.0 OD2 A:ASP401 4.9 54.8 1.0 O A:ASP393 4.9 49.1 1.0 C A:ASP397 5.0 42.0 1.0

Calcium binding site 2 out of 4 in the Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:54.1 occ:1.00 OD1 A:ASP445 2.3 64.2 1.0 O A:SER449 2.3 52.4 1.0 OD1 A:ASP443 2.3 49.4 1.0 OE1 A:GLU454 2.3 55.9 1.0 OE1 A:GLU451 2.4 55.1 1.0 OG A:SER447 2.4 49.1 1.0 OE2 A:GLU454 2.4 56.6 1.0 CD A:GLU454 2.8 56.8 1.0 CG A:ASP445 3.3 59.1 1.0 CD A:GLU451 3.3 52.8 1.0 CG A:ASP443 3.4 54.9 1.0 CB A:SER447 3.5 50.0 1.0 C A:SER449 3.5 52.0 1.0 OE2 A:GLU451 3.6 58.2 1.0 OD2 A:ASP445 3.7 65.6 1.0 CA A:ASP443 3.9 55.3 1.0 N A:SER447 4.0 55.1 1.0 N A:GLU451 4.1 47.9 1.0 CB A:ASP443 4.2 55.0 1.0 OD2 A:ASP443 4.2 59.6 1.0 CG A:GLU454 4.3 55.9 1.0 CA A:SER447 4.3 52.8 1.0 C A:ASP443 4.3 55.8 1.0 CA A:ILE450 4.3 46.1 1.0 N A:ILE450 4.4 51.1 1.0 N A:SER449 4.4 51.3 1.0 N A:ASP445 4.4 60.2 1.0 N A:MET444 4.5 62.1 1.0 CA A:SER449 4.5 51.9 1.0 N A:GLY446 4.7 58.0 1.0 CB A:ASP445 4.7 60.4 1.0 O A:HOH808 4.7 66.0 1.0 CG A:GLU451 4.7 43.6 1.0 C A:ILE450 4.7 49.1 1.0 N A:GLY448 4.9 54.6 1.0 CA A:ASP445 4.9 59.5 1.0 O A:ASP443 4.9 60.4 1.0 C A:SER447 4.9 54.4 1.0 CB A:GLU451 4.9 43.7 1.0

Calcium binding site 3 out of 4 in the Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:0.0 occ:1.00 OD2 A:ASP479 2.3 98.3 1.0 OD1 A:ASP481 2.3 0.1 1.0 O A:LYS485 2.3 89.3 1.0 OG A:SER483 2.4 0.2 1.0 OE2 A:GLU490 2.4 95.7 1.0 OE1 A:GLU490 2.4 89.4 1.0 CD A:GLU490 2.7 93.2 1.0 CG A:ASP481 3.1 1.0 1.0 OD2 A:ASP481 3.3 0.2 1.0 CB A:SER483 3.4 0.0 1.0 CG A:ASP479 3.5 95.8 1.0 C A:LYS485 3.5 87.9 1.0 N A:SER483 3.9 1.0 1.0 OD1 A:ASP479 4.1 90.4 1.0 CA A:ILE486 4.2 89.1 1.0 CA A:SER483 4.2 0.1 1.0 CG A:GLU490 4.2 98.2 1.0 N A:LYS485 4.2 91.6 1.0 N A:ILE486 4.3 85.8 1.0 N A:SER487 4.3 0.6 1.0 CA A:ASP479 4.4 94.2 1.0 CA A:LYS485 4.5 92.3 1.0 CB A:ASP481 4.5 0.4 1.0 CB A:ASP479 4.5 91.4 1.0 N A:ASP481 4.6 0.4 1.0 N A:GLY482 4.6 0.9 1.0 C A:ILE486 4.6 94.0 1.0 N A:GLY484 4.7 0.6 1.0 C A:ASP479 4.7 99.5 1.0 C A:SER483 4.8 0.5 1.0 N A:LYS480 4.9 0.7 1.0 CA A:ASP481 5.0 0.9 1.0

Calcium binding site 4 out of 4 in the Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca604 b:0.4 occ:1.00 OD1 A:ASN517 2.3 0.9 1.0 O A:GLU521 2.3 0.3 1.0 OD1 A:ASP519 2.3 0.5 1.0 OE2 A:GLU526 2.3 0.8 1.0 OD1 A:ASP515 2.3 0.4 1.0 OE1 A:GLU526 2.4 0.7 1.0 CD A:GLU526 2.6 0.5 1.0 CG A:ASP515 3.0 0.6 1.0 CG A:ASN517 3.4 0.5 1.0 OD2 A:ASP515 3.5 0.0 1.0 CG A:ASP519 3.5 0.6 1.0 C A:GLU521 3.5 0.5 1.0 CB A:ASP515 4.0 0.3 1.0 CG A:GLU526 4.0 0.8 1.0 ND2 A:ASN517 4.0 0.1 1.0 OD2 A:ASP519 4.1 0.8 1.0 N A:ASP519 4.3 0.8 1.0 N A:GLU521 4.3 0.6 1.0 N A:LYS518 4.4 0.9 1.0 N A:ASN517 4.4 0.2 1.0 N A:VAL522 4.4 97.4 1.0 CA A:GLU521 4.4 0.1 1.0 CB A:ASN517 4.5 0.5 1.0 CA A:ASP515 4.5 0.9 1.0 N A:ASP523 4.5 86.5 1.0 CA A:VAL522 4.5 92.8 1.0 OD2 A:ASP523 4.5 96.0 1.0 N A:ASN516 4.6 0.7 1.0 CB A:ASP519 4.7 0.2 1.0 CA A:ASN517 4.8 0.9 1.0 C A:ASP515 4.8 0.1 1.0 C A:ASN517 4.8 0.7 1.0 CB A:GLU526 4.8 98.0 1.0 CG A:ASP523 4.9 91.9 1.0 CA A:ASP519 5.0 0.6 1.0

E.A.Merritt, E.T.Larson, Medical Structural Genomics Of Pathogenic Protozoa. Activated Calcium-Dependent Protein Kinase 1 From Cryptosporidium Parvum (CPCDPK1) in Complex with Amp To Be Published.