Calcium in PDB 3c5i: Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520

The structure of Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520, PDB code: 3c5i was solved by A.K.Wernimont, T.Hills, J.Lew, G.Wasney, G.Senesterra, I.Kozieradzki, D.Cossar, M.Vedadi, M.Schapira, A.Bochkarev, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, R.Hui, J.D.Artz, T.Xiao, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.79 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	112.985, 71.993, 116.393, 90.00, 97.72, 90.00
R / Rfree (%)	21.2 / 26

The structure of Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520 also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Uranium	(U)	3 atoms

The binding sites of Calcium atom in the Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520 (pdb code 3c5i). 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 Plasmodium Knowlesi Choline Kinase, PKH_134520, PDB code: 3c5i:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520


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 Plasmodium Knowlesi Choline Kinase, PKH_134520 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca371 b:48.5 occ:1.00 O A:ILE257 2.4 37.4 1.0 OE1 A:GLU254 2.4 37.3 1.0 O A:GLU254 2.4 37.7 1.0 OE1 A:GLU221 2.5 39.6 1.0 OE2 A:GLU221 2.5 35.8 1.0 CD A:GLU221 2.9 39.9 1.0 C A:GLU254 3.3 38.0 1.0 CB A:GLU254 3.4 38.3 1.0 CD A:GLU254 3.5 39.1 1.0 C A:ILE257 3.5 37.8 1.0 CA A:GLU254 3.6 37.5 1.0 CE1 A:TYR259 3.7 36.8 1.0 CD1 A:ILE123 4.0 38.2 1.0 CG A:GLU254 4.0 38.4 1.0 CB A:ILE257 4.1 37.5 1.0 CD1 A:TYR259 4.1 38.0 1.0 CA A:ILE257 4.2 37.4 1.0 N A:ILE257 4.3 37.6 1.0 O A:HOH1018 4.4 33.4 1.0 CG A:GLU221 4.4 36.3 1.0 OE2 A:GLU254 4.5 39.7 1.0 N A:THR255 4.6 38.1 1.0 N A:ASP258 4.6 37.7 1.0 O A:HOH1009 4.6 30.2 1.0 CZ A:TYR259 4.7 39.9 1.0 CB A:GLN220 4.8 40.1 1.0 CG2 A:ILE257 4.8 36.5 1.0 N A:GLU221 4.9 38.0 1.0 CA A:ASP258 4.9 39.1 1.0 CD1 A:LEU126 5.0 39.9 1.0 OH A:TYR259 5.0 40.6 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520


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 Plasmodium Knowlesi Choline Kinase, PKH_134520 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca371 b:48.1 occ:1.00 O B:ILE257 2.3 38.0 1.0 OE2 B:GLU221 2.3 38.0 1.0 OE1 B:GLU254 2.4 36.4 1.0 O B:GLU254 2.5 37.0 1.0 OE1 B:GLU221 2.7 36.1 1.0 CD B:GLU221 2.8 36.4 1.0 C B:ILE257 3.3 37.8 1.0 C B:GLU254 3.5 36.2 1.0 CD B:GLU254 3.6 38.3 1.0 CB B:GLU254 3.6 36.1 1.0 CE1 B:TYR259 3.8 37.9 1.0 CA B:GLU254 3.8 36.7 1.0 CD1 B:ILE123 3.9 40.0 1.0 CA B:ILE257 4.0 37.2 1.0 CB B:ILE257 4.0 37.7 1.0 N B:ILE257 4.1 37.1 1.0 CD1 B:TYR259 4.1 38.9 1.0 CG B:GLU221 4.2 38.4 1.0 CG B:GLU254 4.2 36.1 1.0 O B:HOH1063 4.4 36.5 1.0 N B:ASP258 4.4 37.9 1.0 O B:HOH1010 4.5 32.3 1.0 OE2 B:GLU254 4.6 41.2 1.0 CA B:ASP258 4.7 38.3 1.0 N B:THR255 4.7 36.0 1.0 CZ B:TYR259 4.8 41.4 1.0 CG2 B:ILE257 4.9 35.6 1.0 CG1 B:ILE123 4.9 39.3 1.0 N B:GLU221 5.0 38.6 1.0 CB B:GLN220 5.0 40.8 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520


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 Plasmodium Knowlesi Choline Kinase, PKH_134520 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca371 b:55.2 occ:1.00 O C:ILE257 2.2 36.8 1.0 O C:GLU254 2.3 32.3 1.0 OE1 C:GLU254 2.5 35.6 1.0 OE2 C:GLU221 2.5 42.5 1.0 OE1 C:GLU221 2.5 40.4 1.0 CD C:GLU221 2.9 38.5 1.0 C C:ILE257 3.4 36.9 1.0 C C:GLU254 3.4 32.7 1.0 CD1 C:ILE123 3.6 39.1 1.0 CB C:GLU254 3.7 33.0 1.0 CD C:GLU254 3.7 35.5 1.0 CA C:GLU254 3.8 33.1 1.0 CE1 C:TYR259 3.9 36.4 1.0 CB C:ILE257 3.9 37.1 1.0 CA C:ILE257 4.0 36.9 1.0 N C:ILE257 4.1 37.2 1.0 CD1 C:TYR259 4.2 38.8 1.0 CG C:GLU254 4.3 34.1 1.0 CG C:GLU221 4.4 38.3 1.0 N C:ASP258 4.4 36.0 1.0 O C:HOH381 4.5 29.5 1.0 O C:HOH385 4.5 29.5 1.0 N C:THR255 4.6 32.9 1.0 CG1 C:ILE123 4.7 37.5 1.0 CG2 C:ILE257 4.7 37.1 1.0 OE2 C:GLU254 4.7 32.9 1.0 CA C:ASP258 4.7 36.1 1.0 CZ C:TYR259 4.8 38.4 1.0 CA C:THR255 5.0 34.9 1.0 CG1 C:ILE257 5.0 36.1 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520


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 Plasmodium Knowlesi Choline Kinase, PKH_134520 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca371 b:54.8 occ:1.00 OE1 D:GLU254 2.2 38.5 1.0 O D:GLU254 2.3 38.5 1.0 O D:ILE257 2.3 36.7 1.0 OE2 D:GLU221 2.4 42.2 1.0 OE1 D:GLU221 2.6 40.5 1.0 CD D:GLU221 2.7 41.2 1.0 C D:GLU254 3.3 38.3 1.0 C D:ILE257 3.4 36.7 1.0 CD D:GLU254 3.4 39.2 1.0 CB D:GLU254 3.5 38.7 1.0 CA D:GLU254 3.6 38.4 1.0 CB D:ILE257 3.9 36.8 1.0 CA D:ILE257 3.9 36.1 1.0 CE1 D:TYR259 4.0 39.6 1.0 N D:ILE257 4.0 36.1 1.0 CG D:GLU254 4.1 39.5 1.0 CG D:GLU221 4.1 42.5 1.0 CD1 D:TYR259 4.3 38.4 1.0 O D:HOH376 4.3 34.5 1.0 O D:HOH419 4.4 40.6 1.0 OE2 D:GLU254 4.4 38.7 1.0 N D:THR255 4.5 38.3 1.0 N D:ASP258 4.5 35.7 1.0 CG2 D:ILE257 4.7 36.6 1.0 CB D:GLN220 4.8 41.9 1.0 N D:GLU221 4.9 41.7 1.0 CA D:ASP258 4.9 35.8 1.0 CZ D:TYR259 4.9 39.4 1.0 CG1 D:ILE123 4.9 34.2 1.0 CG1 D:ILE257 5.0 35.9 1.0

A.K.Wernimont, T.Hills, J.Lew, G.Wasney, G.Senisterra, I.Kozieradzki, D.Cossar, M.Vedadi, M.Schapira, A.Bochkarev, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, R.Hui, J.D.Artz, T.Xiao. Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520. To Be Published.