Calcium in PDB 1wrk: Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Orthrombic Crystal Form)

The structure of Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Orthrombic Crystal Form), PDB code: 1wrk was solved by S.Takeda, T.Igarashi, Y.Oishi, H.Mori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.330, 47.900, 98.640, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 25.1

The structure of Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Orthrombic Crystal Form) also contains other interesting chemical elements:

Fluorine

(F)

12 atoms

The binding sites of Calcium atom in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Orthrombic Crystal Form) (pdb code 1wrk). 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 the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Orthrombic Crystal Form), PDB code: 1wrk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Orthrombic Crystal Form)


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 the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Orthrombic Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:27.8 occ:1.00 OD2 A:ASP65 2.1 21.4 1.0 O A:HOH223 2.2 30.9 1.0 O A:THR71 2.4 29.6 1.0 OG A:SER69 2.4 31.0 1.0 OD1 A:ASP67 2.4 30.0 1.0 OE1 A:GLU76 2.4 27.2 1.0 OE2 A:GLU76 2.6 32.9 1.0 CD A:GLU76 2.8 35.7 1.0 CG A:ASP65 3.3 24.6 1.0 CG A:ASP67 3.4 30.2 1.0 C A:THR71 3.5 30.6 1.0 CB A:SER69 3.6 31.2 1.0 OD2 A:ASP67 3.8 31.8 1.0 N A:SER69 4.0 27.6 1.0 CA A:ASP65 4.1 26.4 1.0 OG1 A:THR71 4.2 36.8 1.0 OD1 A:ASP65 4.2 23.6 1.0 N A:THR71 4.2 27.2 1.0 CB A:ASP65 4.2 25.4 1.0 CA A:SER69 4.3 31.4 1.0 O A:HOH225 4.3 45.1 1.0 N A:VAL72 4.4 33.6 1.0 CG A:GLU76 4.4 34.6 1.0 CA A:VAL72 4.4 27.4 1.0 CA A:THR71 4.4 32.0 1.0 N A:ASP67 4.4 33.5 1.0 O A:HOH243 4.5 50.3 1.0 C A:ASP65 4.5 29.6 1.0 OD1 A:ASP73 4.5 37.6 1.0 N A:ASP73 4.6 24.8 1.0 N A:GLY70 4.6 29.2 1.0 N A:GLU66 4.7 35.3 1.0 CB A:ASP67 4.7 27.5 1.0 N A:GLY68 4.7 30.1 1.0 C A:SER69 4.8 31.5 1.0 CA A:ASP67 4.9 30.9 1.0 CB A:THR71 5.0 33.1 1.0 C A:VAL72 5.0 27.1 1.0 C A:ASP67 5.0 29.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Orthrombic Crystal Form)


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 the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Orthrombic Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:35.7 occ:1.00 O B:HOH228 2.1 51.2 1.0 OD2 B:ASP65 2.1 28.1 1.0 OD1 B:ASP67 2.4 33.8 1.0 OE1 B:GLU76 2.4 37.3 1.0 OG B:SER69 2.4 34.8 1.0 O B:THR71 2.4 33.9 1.0 OE2 B:GLU76 2.6 43.2 1.0 CD B:GLU76 2.9 40.7 1.0 CG B:ASP67 3.3 40.1 1.0 CG B:ASP65 3.4 36.4 1.0 CB B:SER69 3.5 36.9 1.0 C B:THR71 3.6 35.3 1.0 OD2 B:ASP67 3.6 40.8 1.0 N B:SER69 3.9 30.7 1.0 CA B:ASP65 4.2 37.6 1.0 OD1 B:ASP65 4.2 33.8 1.0 CB B:ASP65 4.2 30.7 1.0 OG1 B:THR71 4.3 36.3 1.0 CA B:SER69 4.3 26.9 1.0 N B:THR71 4.3 32.2 1.0 CG B:GLU76 4.4 34.8 1.0 CA B:VAL72 4.4 35.0 1.0 N B:VAL72 4.4 34.4 1.0 N B:ASP73 4.5 32.0 1.0 CA B:THR71 4.5 31.8 1.0 N B:ASP67 4.5 33.6 1.0 C B:ASP65 4.6 40.7 1.0 CB B:ASP67 4.7 37.3 1.0 OD1 B:ASP73 4.7 47.0 1.0 N B:GLY70 4.8 26.9 1.0 N B:GLU66 4.8 40.2 1.0 C B:SER69 4.8 26.9 1.0 N B:GLY68 4.9 35.9 1.0 C B:ASP67 4.9 35.8 1.0 C B:VAL72 4.9 36.5 1.0 CA B:ASP67 5.0 34.5 1.0 CG B:ASP73 5.0 36.5 1.0

S.Takeda, T.Igarashi, Y.Oishi, H.Mori. Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine To Be Published.