Calcium in PDB 3igo: Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920

The structure of Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920, PDB code: 3igo was solved by A.K.Wernimont, J.D.Artz, P.Finnerty, M.Amani, A.Allali-Hassanali, M.Vedadi, W.Tempel, F.Mackenzie, A.M.Edwards, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.Bochkarev, R.Hui, Y.H.Lin, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.388, 55.550, 81.697, 90.00, 105.25, 90.00
R / Rfree (%)	20.3 / 25.8

The binding sites of Calcium atom in the Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920 (pdb code 3igo). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920, PDB code: 3igo:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920


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 Cryptosporidium Parvum CDPK1, CGD3_920 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:71.9 occ:1.00 OD1 A:ASP519 2.3 48.1 1.0 OD1 A:ASP515 2.4 50.9 1.0 O A:GLU521 2.6 44.9 1.0 OE2 A:GLU526 2.6 41.7 1.0 OD1 A:ASN517 2.7 51.0 1.0 OE1 A:GLU526 2.7 42.1 1.0 CD A:GLU526 3.0 41.6 1.0 CG A:ASP515 3.5 50.8 1.0 CG A:ASN517 3.5 50.7 1.0 CG A:ASP519 3.6 47.6 1.0 ND2 A:ASN517 3.7 51.0 1.0 C A:GLU521 3.8 44.8 1.0 OD2 A:ASP515 4.2 50.5 1.0 N A:ASP519 4.3 47.7 1.0 OD2 A:ASP519 4.3 47.8 1.0 CB A:ASP515 4.4 50.7 1.0 CA A:VAL522 4.4 43.1 1.0 N A:ASP523 4.5 41.5 1.0 CG A:GLU526 4.5 41.0 1.0 CA A:ASP515 4.5 50.9 1.0 N A:VAL522 4.5 43.8 1.0 CB A:ASP519 4.5 47.4 1.0 OD2 A:ASP523 4.6 40.3 1.0 N A:LYS518 4.7 49.2 1.0 CA A:ASP519 4.8 47.3 1.0 N A:GLU521 4.8 45.6 1.0 N A:ASN517 4.8 50.2 1.0 CA A:GLU521 4.9 45.5 1.0 CB A:ASN517 4.9 50.1 1.0 C A:ASP515 4.9 50.6 1.0 CG A:ASP523 4.9 40.0 1.0 C A:VAL522 5.0 42.5 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920


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 Cryptosporidium Parvum CDPK1, CGD3_920 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:33.0 occ:1.00 O A:HOH547 2.2 19.9 1.0 O A:MET399 2.3 20.4 1.0 OD1 A:ASN395 2.3 20.3 1.0 OD1 A:ASP393 2.4 17.0 1.0 OE1 A:GLU404 2.4 17.6 1.0 OD1 A:ASP397 2.4 16.5 1.0 OE2 A:GLU404 2.5 21.6 1.0 CD A:GLU404 2.8 20.3 1.0 CG A:ASP397 3.3 19.4 1.0 CG A:ASN395 3.3 19.7 1.0 C A:MET399 3.5 20.4 1.0 CG A:ASP393 3.6 19.8 1.0 OD2 A:ASP397 3.6 20.1 1.0 ND2 A:ASN395 3.7 18.7 1.0 N A:MET399 4.2 20.4 1.0 N A:ASP397 4.3 18.8 1.0 CG A:GLU404 4.3 19.2 1.0 CA A:ASP393 4.3 20.4 1.0 O A:ASP397 4.3 21.9 1.0 N A:ASN395 4.4 19.7 1.0 OD2 A:ASP401 4.4 24.2 1.0 CA A:MET399 4.4 20.9 1.0 N A:ASP401 4.4 20.6 1.0 CA A:LEU400 4.4 20.5 1.0 N A:LEU400 4.4 19.5 1.0 O A:HOH572 4.5 33.1 1.0 OD2 A:ASP393 4.5 15.8 1.0 CB A:ASP393 4.5 19.2 1.0 CB A:ASP397 4.5 19.4 1.0 CB A:ASN395 4.5 18.1 1.0 C A:ASP393 4.5 20.8 1.0 N A:ASN396 4.7 18.0 1.0 C A:ASP397 4.7 20.3 1.0 N A:THR394 4.7 20.9 1.0 CA A:ASP397 4.8 19.8 1.0 CA A:ASN395 4.8 18.9 1.0 C A:LEU400 4.8 20.2 1.0 C A:ASN395 4.9 18.1 1.0 CG A:ASP401 4.9 23.0 1.0 O A:HOH34 4.9 26.2 1.0 CB A:MET399 4.9 21.4 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:33.7 occ:1.00 OD1 A:ASP443 2.2 22.7 1.0 OE1 A:GLU451 2.3 24.4 1.0 OE1 A:GLU454 2.3 25.4 1.0 O A:SER449 2.3 21.8 1.0 OD1 A:ASP445 2.3 29.4 1.0 OG A:SER447 2.5 22.6 1.0 OE2 A:GLU454 2.9 26.1 1.0 CD A:GLU454 3.0 24.7 1.0 CD A:GLU451 3.2 25.2 1.0 CG A:ASP443 3.3 26.0 1.0 CG A:ASP445 3.4 28.6 1.0 OE2 A:GLU451 3.6 28.0 1.0 CB A:SER447 3.6 23.1 1.0 C A:SER449 3.6 20.9 1.0 OD2 A:ASP445 3.8 30.6 1.0 N A:SER447 4.0 24.3 1.0 CA A:ASP443 4.1 28.6 1.0 N A:GLU451 4.1 19.8 1.0 OD2 A:ASP443 4.2 24.3 1.0 CB A:ASP443 4.2 28.3 1.0 CA A:SER447 4.3 23.0 1.0 CA A:ILE450 4.3 19.5 1.0 N A:ASP445 4.4 28.7 1.0 N A:ILE450 4.4 20.3 1.0 C A:ASP443 4.4 29.1 1.0 N A:SER449 4.4 20.1 1.0 CG A:GLU454 4.4 22.6 1.0 N A:MET444 4.4 29.4 1.0 CG A:GLU451 4.6 21.5 1.0 CA A:SER449 4.6 20.6 1.0 CB A:ASP445 4.7 28.2 1.0 C A:ILE450 4.7 20.0 1.0 O A:HOH33 4.8 23.8 1.0 CB A:GLU451 4.8 20.3 1.0 N A:GLY446 4.8 26.8 1.0 N A:GLY448 4.9 21.8 1.0 C A:SER447 4.9 22.8 1.0 CA A:ASP445 4.9 28.1 1.0 O A:HOH6 4.9 20.9 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Cryptosporidium Parvum CDPK1, CGD3_920 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca541 b:0.6 occ:1.00 O A:GLY484 3.2 48.4 1.0 N A:ASP481 3.6 44.8 1.0 N A:ILE486 3.6 51.8 1.0 CB A:LYS489 3.7 59.9 1.0 CG A:LYS489 3.7 59.5 1.0 N A:LYS480 3.8 42.8 1.0 CA A:LYS485 3.8 49.9 1.0 O A:PHE478 3.8 39.1 1.0 CB A:ASP481 4.0 45.2 1.0 O A:ASP481 4.2 46.0 1.0 C A:GLY484 4.2 48.4 1.0 C A:LYS485 4.2 50.6 1.0 CA A:ASP481 4.3 45.3 1.0 CB A:ILE486 4.4 52.6 1.0 CB A:LYS480 4.5 43.5 1.0 CA A:LYS480 4.5 43.5 1.0 CA A:ASP479 4.5 41.2 1.0 N A:LYS485 4.5 49.3 1.0 C A:LYS480 4.5 44.1 1.0 C A:ASP479 4.5 41.9 1.0 CA A:ILE486 4.6 52.9 1.0 OD1 A:ASP479 4.6 44.1 1.0 O A:HOH584 4.7 40.1 1.0 C A:ASP481 4.7 45.7 1.0 CB A:LYS485 4.8 50.0 1.0 C A:PHE478 4.9 39.0 1.0

A.K.Wernimont, J.D.Artz, P.Finerty, Y.H.Lin, M.Amani, A.Allali-Hassani, G.Senisterra, M.Vedadi, W.Tempel, F.Mackenzie, I.Chau, S.Lourido, L.D.Sibley, R.Hui. Structures of Apicomplexan Calcium-Dependent Protein Kinases Reveal Mechanism of Activation By Calcium. Nat.Struct.Mol.Biol. V. 17 596 2010.
ISSN: ISSN 1545-9993
PubMed: 20436473
DOI: 10.1038/NSMB.1795