Calcium in PDB 3swb: Crystal Structure of the Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution

The structure of Crystal Structure of the Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution, PDB code: 3swb was solved by X.L.Zhang, M.Paetzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.12 / 1.67
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	49.793, 49.793, 117.475, 90.00, 90.00, 120.00
R / Rfree (%)	13.5 / 16.5

The structure of Crystal Structure of the Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution also contains other interesting chemical elements:

Cadmium

(Cd)

6 atoms

The binding sites of Calcium atom in the Crystal Structure of the Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution (pdb code 3swb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of the Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution, PDB code: 3swb:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of the Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution


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 Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca90 b:21.7 occ:1.00 OE2 A:GLU19 2.4 21.7 0.5 OE1 A:GLU19 2.4 22.3 0.5 O A:HOH124 2.6 58.3 1.0 CD A:GLU19 2.7 22.4 0.5 O A:HOH100 4.0 31.4 1.0 CG A:GLU19 4.2 20.3 0.5 CG A:GLU19 4.3 21.6 0.5 OE1 A:GLU19 4.6 28.9 0.5 CD A:GLU19 4.8 27.1 0.5

Calcium binding site 2 out of 3 in the Crystal Structure of the Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution


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 Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca91 b:26.8 occ:1.00 O A:HOH140 2.2 32.1 1.0 O A:HOH139 2.3 36.7 1.0 OE1 A:GLU76 2.4 24.4 1.0 OD1 A:ASP65 2.4 28.9 0.5 OD2 A:ASP65 2.4 28.9 0.5 OE2 A:GLU76 2.4 29.8 1.0 CG A:ASP65 2.7 32.1 0.5 CD A:GLU76 2.7 22.5 1.0 O A:THR71 2.7 22.4 1.0 O A:HOH141 2.8 49.1 1.0 C A:THR71 3.7 20.5 1.0 OG1 A:THR71 3.9 29.2 1.0 CA A:VAL72 4.1 16.1 1.0 CB A:ASP65 4.1 34.9 1.0 CG A:GLU76 4.2 16.8 1.0 N A:VAL72 4.3 16.4 1.0 N A:GLU66 4.3 35.7 0.5 N A:ASP73 4.4 15.3 1.0 CA A:ASP65 4.6 35.5 1.0 C A:VAL72 4.7 15.1 1.0 CA A:THR71 4.8 21.1 1.0 OE1 A:GLU66 4.8 29.8 1.0 CB A:THR71 4.8 22.8 1.0 CB A:GLU66 5.0 34.2 1.0 CB A:GLU76 5.0 16.3 1.0 C A:ASP65 5.0 37.3 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of the Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution


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 the Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium at 1.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca92 b:32.6 occ:0.50 OE1 A:GLU19 2.2 28.9 0.5 OE2 A:GLU15 2.3 49.3 1.0 CD A:GLU19 3.0 27.1 0.5 OE2 A:GLU19 3.0 28.7 0.5 CD A:GLU15 3.4 42.0 0.5 CG A:GLU15 3.9 33.9 1.0 CG A:GLU19 4.5 21.6 0.5 OE1 A:GLU15 4.5 48.0 1.0 CB A:GLU15 4.8 26.8 1.0 O A:HOH131 4.9 38.6 1.0

X.L.Zhang, G.F.Tibbits, M.Paetzel. The Structure of Cardiac Troponin C Regulatory Domain with Bound Cd(2+) Reveals A Closed Conformation and Unique Ion Coordination. Acta Crystallogr.,Sect.D V. 69 722 2013.
ISSN: ISSN 0907-4449
PubMed: 23633581
DOI: 10.1107/S0907444913001182