Calcium in PDB 4gje: Crystal Structure of the Refolded Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium

The structure of Crystal Structure of the Refolded Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium, PDB code: 4gje was solved by X.Zhang, M.Paetzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.98 / 1.60
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	49.627, 49.627, 116.313, 90.00, 90.00, 120.00
R / Rfree (%)	12.1 / 15

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

Cadmium

(Cd)

7 atoms

The binding sites of Calcium atom in the Crystal Structure of the Refolded Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium (pdb code 4gje). 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 Refolded Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium, PDB code: 4gje:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Refolded Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium


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 Refolded Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca111 b:31.9 occ:0.50 O A:HOH255 1.7 45.8 1.0 OE2 A:GLU19 1.9 33.7 0.6 OE1 A:GLU15 2.3 35.8 0.5 CD A:GLU19 2.9 28.1 0.6 OE1 A:GLU19 3.2 32.9 0.6 CD A:GLU15 3.3 37.4 0.5 OXT A:ACT108 3.7 35.7 1.0 CG A:GLU15 3.8 33.2 1.0 CG A:GLU19 4.3 24.6 0.6 OE2 A:GLU15 4.3 37.8 0.5 C A:ACT108 4.6 34.6 1.0 OE1 A:GLU19 4.9 26.8 0.4 CB A:GLU15 5.0 33.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Refolded Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium


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 Refolded Amino-Terminal Domain of Human Cardiac Troponin C in Complex with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca112 b:23.8 occ:1.00 O A:HOH257 1.8 59.2 1.0 OE2 A:GLU19 2.5 24.0 0.4 OE1 A:GLU19 2.6 26.8 0.4 O A:HOH220 2.6 48.2 1.0 CD A:GLU19 2.8 23.2 0.4 O A:HOH221 4.1 29.2 1.0 CG A:GLU19 4.3 22.1 0.4 CG A:GLU19 4.5 24.6 0.6 OE2 A:GLU19 4.9 33.7 0.6

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