Calcium in PDB 1nw1: Crystal Structure of Choline Kinase

All present enzymatic activity of Crystal Structure of Choline Kinase:
2.7.1.32;

The structure of Crystal Structure of Choline Kinase, PDB code: 1nw1 was solved by D.Peisach, P.Gee, C.Kent, Z.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.54 / 2.02
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.372, 102.141, 85.369, 90.00, 90.66, 90.00
R / Rfree (%)	20.9 / 23.1

The binding sites of Calcium atom in the Crystal Structure of Choline Kinase (pdb code 1nw1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Choline Kinase, PDB code: 1nw1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Choline Kinase


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 Choline Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca430 b:32.2 occ:1.00 O A:ILE323 2.2 17.2 1.0 OE1 A:GLU320 2.2 14.1 1.0 O A:GLU320 2.3 16.9 1.0 OE1 A:GLU258 2.5 17.0 1.0 OE2 A:GLU258 2.5 17.0 1.0 CD A:GLU258 2.8 15.6 1.0 C A:GLU320 3.2 16.0 1.0 C A:ILE323 3.3 16.9 1.0 CD A:GLU320 3.4 14.8 1.0 CA A:GLU320 3.5 16.2 1.0 CB A:GLU320 3.5 15.1 1.0 CE2 A:TYR325 3.5 20.8 1.0 CB A:ILE323 3.8 16.8 1.0 CA A:ILE323 3.9 16.4 1.0 CG A:GLU320 4.0 13.2 1.0 N A:ILE323 4.0 17.4 1.0 CD2 A:TYR325 4.1 20.9 1.0 CZ A:TYR325 4.3 23.2 1.0 CG A:GLU258 4.3 16.4 1.0 OE2 A:GLU320 4.4 15.7 1.0 SG A:CYS161 4.4 23.4 1.0 N A:ASP324 4.4 17.4 1.0 OH A:TYR325 4.4 23.6 1.0 N A:TRP321 4.4 17.8 1.0 CB A:CYS161 4.5 18.6 1.0 CG2 A:ILE323 4.7 15.8 1.0 CB A:GLN257 4.7 15.2 1.0 O A:HOH498 4.7 19.8 1.0 CA A:ASP324 4.8 20.0 1.0 CD1 A:ILE164 4.8 14.1 1.0 N A:GLU258 4.8 14.3 1.0 N A:GLU320 4.9 15.7 1.0 CG1 A:ILE323 4.9 17.2 1.0 CA A:CYS161 5.0 18.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Choline Kinase


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 Choline Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca430 b:23.1 occ:1.00 OE1 B:GLU320 2.2 19.7 1.0 O B:ILE323 2.2 19.8 1.0 OE2 B:GLU258 2.3 16.8 1.0 OE1 B:GLU258 2.3 17.0 1.0 O B:GLU320 2.4 19.3 1.0 CD B:GLU258 2.6 18.4 1.0 C B:GLU320 3.3 20.4 1.0 C B:ILE323 3.4 20.6 1.0 CD B:GLU320 3.4 19.9 1.0 CB B:GLU320 3.5 19.6 1.0 CA B:GLU320 3.5 19.6 1.0 CE2 B:TYR325 3.5 20.2 1.0 CB B:ILE323 3.9 20.6 1.0 CA B:ILE323 3.9 20.4 1.0 CG B:GLU320 4.0 18.0 1.0 N B:ILE323 4.1 19.2 1.0 CD2 B:TYR325 4.1 21.2 1.0 CG B:GLU258 4.2 17.9 1.0 SG B:CYS161 4.3 22.5 1.0 CZ B:TYR325 4.4 20.1 1.0 OE2 B:GLU320 4.4 18.1 1.0 N B:ASP324 4.5 19.9 1.0 CB B:CYS161 4.5 20.5 1.0 N B:TRP321 4.5 20.9 1.0 OH B:TYR325 4.6 22.0 1.0 CG2 B:ILE323 4.7 19.7 1.0 N B:GLU258 4.7 14.2 1.0 O B:HOH501 4.7 15.6 1.0 CB B:GLN257 4.8 15.1 1.0 CD1 B:ILE164 4.8 13.9 1.0 CA B:ASP324 4.9 22.0 1.0 CA B:CYS161 4.9 20.9 1.0 N B:GLU320 5.0 17.8 1.0

D.Peisach, P.Gee, C.Kent, Z.Xu. The Crystal Structure of Choline Kinase Reveals A Eukaryotic Protein Kinase Fold Structure V. 11 703 2003.
ISSN: ISSN 0969-2126
PubMed: 12791258
DOI: 10.1016/S0969-2126(03)00094-7