Calcium 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:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 8 binding sites of Calcium where determined in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp, PDB code: 4ysj:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca501 b:67.8 occ:1.00 O A:GLN351 2.3 63.7 1.0 OD1 A:ASN347 2.3 66.2 1.0 OD2 A:ASP349 2.3 72.7 1.0 OE1 A:GLU356 2.3 65.3 1.0 OD1 A:ASP345 2.3 66.4 1.0 OE2 A:GLU356 2.3 68.4 1.0 CD A:GLU356 2.7 65.8 1.0 CG A:ASP349 3.2 72.2 1.0 CG A:ASN347 3.2 65.8 1.0 OD1 A:ASP349 3.5 71.3 1.0 C A:GLN351 3.5 66.9 1.0 CG A:ASP345 3.5 67.6 1.0 ND2 A:ASN347 3.5 65.2 1.0 OD2 A:ASP345 4.1 72.0 1.0 CG A:GLU356 4.1 67.5 1.0 N A:GLN351 4.3 72.2 1.0 OD2 A:ASP353 4.4 73.9 1.0 CA A:LEU352 4.4 60.2 1.0 N A:ASP349 4.4 69.9 1.0 N A:LEU352 4.4 63.0 1.0 CA A:GLN351 4.4 71.6 1.0 CB A:ASP349 4.5 73.1 1.0 N A:ASP353 4.5 62.3 1.0 CB A:ASN347 4.5 68.1 1.0 CB A:GLN351 4.6 78.8 1.0 CB A:ASP345 4.7 67.6 1.0 N A:ASN347 4.7 67.0 1.0 CG A:ASP353 4.8 70.4 1.0 CA A:ASP345 4.8 69.2 1.0 C A:LEU352 4.8 59.7 1.0 CA A:ASP349 4.8 71.6 1.0 N A:GLY350 5.0 68.7 1.0 N A:GLY348 5.0 69.8 1.0 CA A:ASN347 5.0 69.2 1.0

Calcium binding site 2 out of 8 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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 A:Ca502 b:64.0 occ:1.00 OD1 A:ASN396 2.3 65.1 1.0 O A:PHE398 2.3 67.8 1.0 OD1 A:ASP392 2.3 67.0 1.0 OD1 A:ASP394 2.3 64.1 1.0 OE2 A:GLU403 2.3 62.7 1.0 OE1 A:GLU403 2.3 61.2 1.0 OE2 A:GLU400 2.4 77.5 1.0 CD A:GLU403 2.7 61.2 1.0 CG A:ASN396 3.4 67.6 1.0 CG A:ASP392 3.4 66.3 1.0 CG A:ASP394 3.4 64.5 1.0 C A:PHE398 3.5 70.9 1.0 CD A:GLU400 3.5 79.5 1.0 OD2 A:ASP394 3.9 63.6 1.0 ND2 A:ASN396 3.9 65.3 1.0 OE1 A:GLU400 4.0 90.2 1.0 OD2 A:ASP392 4.1 67.3 1.0 N A:GLU400 4.2 66.1 1.0 CG A:GLU403 4.2 61.2 1.0 N A:PHE398 4.2 74.1 1.0 N A:ASP394 4.3 62.3 1.0 CA A:ASP392 4.3 60.9 1.0 CA A:ILE399 4.3 66.8 1.0 N A:ILE399 4.3 69.3 1.0 CB A:ASP392 4.4 63.4 1.0 CA A:PHE398 4.4 74.3 1.0 N A:ASN396 4.5 73.0 1.0 CB A:ASN396 4.5 69.9 1.0 C A:ASP392 4.6 61.9 1.0 CB A:ASP394 4.6 64.2 1.0 N A:PHE393 4.7 63.1 1.0 CG A:GLU400 4.7 72.6 1.0 N A:LYS395 4.7 69.5 1.0 CB A:PHE398 4.7 78.1 1.0 CB A:GLU400 4.7 69.2 1.0 C A:ILE399 4.7 66.2 1.0 CA A:ASP394 4.8 64.4 1.0 C A:ASP394 5.0 66.7 1.0 CA A:ASN396 5.0 71.6 1.0

Calcium binding site 3 out of 8 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:91.2 occ:1.00 OE2 A:GLU439 2.3 86.6 1.0 OG A:SER432 2.3 94.8 1.0 OD1 A:ASP430 2.3 92.7 1.0 O A:LYS434 2.3 88.8 1.0 OE1 A:GLU439 2.3 86.0 1.0 OD1 A:ASP428 2.3 87.8 1.0 CD A:GLU439 2.5 84.9 1.0 CG A:ASP430 3.2 96.1 1.0 OD2 A:ASP430 3.4 98.8 1.0 CB A:SER432 3.5 96.5 1.0 C A:LYS434 3.5 85.2 1.0 CG A:ASP428 3.6 85.7 1.0 CG A:GLU439 3.9 82.6 1.0 N A:SER432 4.2 94.7 1.0 N A:LYS434 4.3 88.5 1.0 N A:SER436 4.4 82.3 1.0 CA A:SER432 4.4 96.3 1.0 OD2 A:ASP428 4.4 88.5 1.0 OG A:SER436 4.4 86.2 1.0 CA A:LYS434 4.4 87.6 1.0 N A:ILE435 4.5 81.7 1.0 CA A:ASP428 4.5 81.5 1.0 CB A:ASP430 4.5 95.1 1.0 CB A:ASP428 4.6 81.8 1.0 CA A:ILE435 4.6 80.7 1.0 N A:ASP430 4.7 89.5 1.0 CB A:SER436 4.8 86.5 1.0 C A:ASP428 4.8 83.3 1.0 C A:SER432 4.9 94.9 1.0 C A:ILE435 4.9 81.6 1.0 CB A:LYS434 4.9 91.8 1.0 OE1 A:GLU468 4.9 0.9 1.0 N A:ALA429 4.9 84.2 1.0 N A:GLY433 5.0 91.1 1.0 CB A:GLU439 5.0 80.0 1.0

Calcium binding site 4 out of 8 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:0.0 occ:1.00 OD1 A:ASN464 2.1 0.7 1.0 OD2 A:ASP462 2.3 1.0 1.0 OE1 A:GLU473 2.3 99.5 1.0 O A:GLU468 2.3 0.9 1.0 OE2 A:GLU473 2.3 0.8 1.0 OD1 A:ASP466 2.3 0.9 1.0 CD A:GLU473 2.6 100.0 1.0 CG A:ASN464 2.8 0.2 1.0 ND2 A:ASN464 2.9 1.0 1.0 CG A:ASP462 3.1 0.8 1.0 CG A:ASP466 3.2 0.5 1.0 OD1 A:ASP462 3.4 0.4 1.0 C A:GLU468 3.5 0.1 1.0 OD2 A:ASP466 3.6 0.6 1.0 N A:ASP466 3.9 0.2 1.0 OD2 A:ASP470 4.0 99.9 1.0 N A:ASN464 4.1 0.8 1.0 N A:ASN465 4.1 0.5 1.0 CG A:GLU473 4.2 0.4 1.0 N A:GLU468 4.2 0.5 1.0 N A:ARG463 4.2 0.8 1.0 CB A:ASN464 4.2 0.2 1.0 CB A:ASP462 4.3 0.1 1.0 CB A:ASP466 4.3 0.9 1.0 CA A:GLU468 4.4 0.2 1.0 N A:VAL469 4.4 97.9 1.0 CA A:ASP462 4.4 0.8 1.0 CA A:VAL469 4.5 97.2 1.0 CA A:ASP466 4.6 0.6 1.0 CA A:ASN464 4.6 0.2 1.0 N A:GLY467 4.8 0.8 1.0 C A:ASP462 4.8 0.0 1.0 N A:ASP470 4.8 95.4 1.0 CA A:ASN465 4.9 0.7 1.0 C A:ASP466 4.9 0.8 1.0 C A:ARG463 4.9 0.2 1.0 C A:ASN465 4.9 0.5 1.0 C A:ASN464 4.9 0.3 1.0 CG A:ASP470 5.0 99.1 1.0

Calcium binding site 5 out of 8 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:74.4 occ:1.00 O B:GLN351 2.3 76.6 1.0 OD1 B:ASN347 2.3 74.8 1.0 OE2 B:GLU356 2.3 75.4 1.0 OE1 B:GLU356 2.3 73.5 1.0 OD1 B:ASP345 2.3 73.9 1.0 OD2 B:ASP349 2.3 75.3 1.0 CD B:GLU356 2.7 74.9 1.0 CG B:ASN347 3.2 75.8 1.0 CG B:ASP349 3.3 76.8 1.0 C B:GLN351 3.5 78.5 1.0 CG B:ASP345 3.5 75.9 1.0 OD1 B:ASP349 3.6 76.9 1.0 ND2 B:ASN347 3.6 76.2 1.0 CG B:GLU356 4.1 77.8 1.0 OD2 B:ASP345 4.2 78.4 1.0 N B:GLN351 4.3 79.4 1.0 OD2 B:ASP353 4.3 82.8 1.0 CA B:LEU352 4.4 73.1 1.0 N B:LEU352 4.4 75.0 1.0 CA B:GLN351 4.4 79.3 1.0 N B:ASP353 4.5 72.6 1.0 N B:ASP349 4.5 77.8 1.0 CB B:ASN347 4.6 77.9 1.0 CB B:ASP349 4.6 79.6 1.0 CG B:ASP353 4.6 80.2 1.0 CB B:GLN351 4.6 83.5 1.0 CB B:ASP345 4.7 78.4 1.0 N B:ASN347 4.7 77.5 1.0 C B:LEU352 4.8 70.5 1.0 CA B:ASP345 4.8 82.0 1.0 CA B:ASP349 4.9 79.2 1.0 CB B:ASP353 5.0 77.6 1.0

Calcium binding site 6 out of 8 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca502 b:70.1 occ:1.00 OD1 B:ASN396 2.3 70.0 1.0 O B:PHE398 2.3 70.8 1.0 OD1 B:ASP392 2.3 72.7 1.0 OE2 B:GLU400 2.3 83.2 1.0 OD1 B:ASP394 2.3 69.0 1.0 OE2 B:GLU403 2.3 69.6 1.0 OE1 B:GLU403 2.3 65.4 1.0 CD B:GLU403 2.7 66.7 1.0 CG B:ASN396 3.3 72.2 1.0 CG B:ASP394 3.4 70.1 1.0 CG B:ASP392 3.4 72.4 1.0 CD B:GLU400 3.5 85.0 1.0 C B:PHE398 3.5 74.5 1.0 OD2 B:ASP394 3.9 70.5 1.0 ND2 B:ASN396 3.9 72.4 1.0 OE1 B:GLU400 4.0 85.3 1.0 OD2 B:ASP392 4.1 74.3 1.0 N B:GLU400 4.1 77.1 1.0 CG B:GLU403 4.2 66.0 1.0 N B:PHE398 4.3 76.6 1.0 CA B:ASP392 4.3 66.9 1.0 N B:ASP394 4.3 69.2 1.0 CA B:ILE399 4.3 75.8 1.0 N B:ILE399 4.3 75.2 1.0 CB B:ASP392 4.4 69.9 1.0 CA B:PHE398 4.4 77.4 1.0 N B:ASN396 4.5 76.0 1.0 CB B:ASN396 4.5 74.1 1.0 C B:ASP392 4.6 67.2 1.0 CB B:ASP394 4.6 70.3 1.0 CG B:GLU400 4.7 77.7 1.0 CB B:GLU400 4.7 75.6 1.0 N B:PHE393 4.7 69.9 1.0 C B:ILE399 4.7 77.3 1.0 N B:LYS395 4.7 75.0 1.0 CB B:PHE398 4.8 82.1 1.0 CA B:ASP394 4.8 70.3 1.0 C B:ASP394 5.0 72.5 1.0 CA B:ASN396 5.0 75.5 1.0

Calcium binding site 7 out of 8 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca503 b:0.7 occ:1.00 OE2 B:GLU439 2.3 94.9 1.0 OD2 B:ASP430 2.3 97.3 1.0 OG B:SER432 2.3 0.3 1.0 OD1 B:ASP430 2.4 0.9 1.0 OE1 B:GLU439 2.5 89.3 1.0 CD B:GLU439 2.6 90.7 1.0 O B:LYS434 2.6 84.8 1.0 CG B:ASP430 2.7 98.9 1.0 OD1 B:ASP428 2.9 83.2 1.0 CB B:SER432 3.5 0.9 1.0 C B:LYS434 3.8 83.5 1.0 CG B:GLU439 3.9 89.2 1.0 OG B:SER436 4.1 90.8 1.0 CG B:ASP428 4.2 83.3 1.0 CB B:ASP430 4.3 0.1 1.0 N B:SER436 4.4 82.8 1.0 N B:SER432 4.5 0.5 1.0 CB B:SER436 4.5 88.8 1.0 CA B:SER432 4.6 0.6 1.0 OE1 B:GLU468 4.6 0.6 1.0 N B:LYS434 4.7 88.7 1.0 CA B:LYS434 4.7 87.5 1.0 N B:ILE435 4.8 79.4 1.0 N B:ASP430 4.8 95.0 1.0 CA B:ILE435 4.9 78.1 1.0 OD2 B:ASP428 4.9 84.2 1.0 C B:ILE435 5.0 80.9 1.0

Calcium binding site 8 out of 8 in the Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Calcium-Dependent Protein Kinase From Eimeria Tenella in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca504 b:0.8 occ:1.00 OD1 B:ASN464 2.3 0.2 1.0 O B:GLU468 2.3 0.7 1.0 OD2 B:ASP462 2.3 0.3 1.0 OE2 B:GLU473 2.3 99.9 1.0 OE1 B:GLU473 2.3 1.0 1.0 OD1 B:ASP466 2.3 0.6 1.0 CD B:GLU473 2.6 0.1 1.0 CG B:ASP466 3.1 0.8 1.0 CG B:ASN464 3.2 0.9 1.0 C B:GLU468 3.4 99.1 1.0 ND2 B:ASN464 3.4 0.8 1.0 OD2 B:ASP466 3.5 0.6 1.0 CG B:ASP462 3.5 0.3 1.0 OD2 B:ASP470 3.8 0.1 1.0 N B:ASP466 4.0 0.9 1.0 N B:ASN465 4.1 0.3 1.0 OD1 B:ASP462 4.1 0.1 1.0 CG B:GLU473 4.2 99.9 1.0 N B:GLU468 4.2 0.9 1.0 N B:VAL469 4.3 94.1 1.0 CB B:ASP466 4.4 0.8 1.0 CA B:GLU468 4.4 0.6 1.0 N B:ASN464 4.4 0.9 1.0 CA B:VAL469 4.4 92.3 1.0 CB B:ASN464 4.5 0.1 1.0 CA B:ASP462 4.6 0.3 1.0 N B:ASP470 4.6 94.0 1.0 CB B:ASP462 4.6 0.7 1.0 CA B:ASP466 4.7 0.8 1.0 N B:ARG463 4.7 0.7 1.0 C B:ASN464 4.7 0.7 1.0 CG B:ASP470 4.7 98.6 1.0 CA B:ASN464 4.8 0.5 1.0 C B:ASP462 4.8 0.1 1.0 N B:GLY467 4.9 0.6 1.0 CA B:ASN465 4.9 0.7 1.0 CB B:GLU468 4.9 0.2 1.0 C B:ASP466 5.0 0.4 1.0 C B:VAL469 5.0 92.7 1.0

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.