Uranium 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
Calcium	(Ca)	4 atoms

The binding sites of Uranium 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 Uranium atom.
In total 3 binding sites of Uranium where determined in the Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520, PDB code: 3c5i:
Jump to Uranium binding site number: 1; 2; 3;

Uranium binding site 1 out of 3 in the Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U 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 B:U1002 b:30.0 occ:1.00 CE B:MET351 3.5 45.6 1.0 O B:HOH1048 3.6 39.2 1.0 CD1 B:TYR274 4.2 41.3 1.0 OG B:SER256 4.2 36.5 1.0 NE2 B:HIS319 4.3 39.7 1.0 CD1 B:ILE253 4.4 40.1 1.0 CE1 B:HIS319 4.4 38.4 1.0 CG B:MET351 4.5 41.8 1.0 CE1 B:TYR274 4.6 42.3 1.0 SD B:MET351 4.6 42.2 1.0 CG B:TYR274 4.9 41.6 1.0

Uranium binding site 2 out of 3 in the Crystal Structure of Plasmodium Knowlesi Choline Kinase, PKH_134520


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U 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 C:U372 b:30.0 occ:1.00 NE2 C:GLN220 3.2 46.3 1.0 CZ3 C:TRP325 4.0 38.7 1.0 CH2 C:TRP325 4.0 40.1 1.0 CD C:GLN220 4.1 41.9 1.0 OH C:TYR259 4.2 39.5 1.0 OE1 C:GLN220 4.3 42.8 1.0 OD1 C:ASP218 4.3 41.7 1.0 CE3 C:TRP325 4.7 38.0 1.0 CZ2 C:TRP325 4.8 40.3 1.0 CZ C:TYR259 4.8 38.4 1.0 O C:HOH388 4.9 29.9 1.0 CE3 C:TRP322 4.9 34.4 1.0 OE2 C:GLU254 4.9 32.9 1.0 OD2 C:ASP218 5.0 45.5 1.0

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


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U 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 D:U372 b:30.0 occ:1.00 C1 D:GOL375 2.6 27.1 0.5 C3 D:GOL375 3.4 25.8 0.5 CB D:LYS163 3.4 40.9 1.0 C2 D:GOL375 3.4 23.6 0.5 O D:HOH443 3.5 37.8 1.0 O D:HOH446 3.6 42.8 1.0 O1 D:GOL375 3.6 23.4 0.5 CE D:LYS163 3.6 48.5 1.0 O3 D:GOL375 3.9 22.6 0.5 CD D:LYS163 4.2 46.2 1.0 CG D:LYS163 4.3 42.9 1.0 CG D:MET164 4.4 37.8 1.0 N D:MET164 4.5 38.1 1.0 C D:LYS163 4.5 39.7 1.0 NZ D:LYS163 4.5 50.1 1.0 CA D:LYS163 4.6 40.1 1.0 SG D:CYS160 4.7 37.0 1.0 O2 D:GOL375 4.7 27.6 0.5 O D:HOH449 4.8 45.5 1.0 CA D:MET164 4.9 38.5 1.0 O D:LYS163 5.0 39.2 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.