Calcium in PDB 1avs: X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C

The structure of X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C, PDB code: 1avs was solved by N.C.J.Strynadka, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.120, 81.580, 39.860, 90.00, 112.67, 90.00
R / Rfree (%)	21.4 / 25.1

The binding sites of Calcium atom in the X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C (pdb code 1avs). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C, PDB code: 1avs:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca93 b:16.3 occ:1.00 OD1 A:ASP30 2.2 18.3 1.0 O A:HOH95 2.2 16.9 1.0 O A:HOH96 2.3 25.0 1.0 O A:ASP36 2.4 18.5 1.0 OD1 A:ASP32 2.4 17.4 1.0 OE1 A:GLU41 2.5 22.4 1.0 OE2 A:GLU41 2.6 24.4 1.0 CD A:GLU41 2.9 24.0 1.0 CG A:ASP32 3.2 20.4 1.0 CG A:ASP30 3.5 16.7 1.0 C A:ASP36 3.6 20.1 1.0 OD2 A:ASP32 3.7 23.0 1.0 O A:HOH99 4.1 32.9 1.0 N A:GLY34 4.2 19.6 1.0 OD1 A:ASP36 4.2 25.6 1.0 CA A:ASP30 4.2 19.3 1.0 CB A:ASP30 4.3 16.9 1.0 OD2 A:ASP30 4.3 19.7 1.0 N A:ASP36 4.3 19.5 1.0 N A:ASP32 4.3 19.9 1.0 CG A:GLU41 4.4 19.1 1.0 C A:ASP30 4.5 22.4 1.0 CB A:ASP32 4.5 20.0 1.0 N A:ILE37 4.5 16.0 1.0 O A:HOH98 4.5 34.4 1.0 CA A:ILE37 4.5 16.7 1.0 CA A:ASP36 4.6 19.1 1.0 CA A:GLY34 4.7 20.1 1.0 N A:GLY33 4.7 22.0 1.0 N A:ALA31 4.8 23.1 1.0 CA A:ASP32 4.8 18.6 1.0 N A:SER38 4.8 15.7 1.0 N A:GLY35 4.8 20.7 1.0 O A:ASP30 4.8 22.3 1.0 C A:ASP32 4.9 20.1 1.0 O A:HOH97 4.9 28.0 1.0 C A:GLY34 4.9 22.6 1.0

Calcium binding site 2 out of 4 in the X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca94 b:19.1 occ:1.00 OD1 A:ASP66 2.3 18.4 1.0 OD1 A:ASP68 2.3 19.9 1.0 OE1 A:GLU77 2.4 28.3 1.0 OE2 A:GLU77 2.4 23.0 1.0 O A:HOH102 2.5 23.0 1.0 OG A:SER70 2.6 15.1 1.0 O A:THR72 2.6 19.7 1.0 CD A:GLU77 2.8 24.8 1.0 CG A:ASP68 3.4 21.3 1.0 CG A:ASP66 3.5 21.1 1.0 CB A:SER70 3.8 15.0 1.0 C A:THR72 3.8 19.8 1.0 OD2 A:ASP68 3.8 22.2 1.0 N A:SER70 4.0 21.7 1.0 OG1 A:THR72 4.2 17.7 1.0 CG A:GLU77 4.3 23.1 1.0 CA A:ASP66 4.3 20.6 1.0 OD2 A:ASP66 4.3 24.0 1.0 CB A:ASP66 4.4 19.1 1.0 N A:THR72 4.4 18.5 1.0 CA A:SER70 4.4 19.1 1.0 N A:ASP68 4.4 20.3 1.0 N A:ASP74 4.5 18.7 1.0 OD2 A:ASP74 4.5 23.2 1.0 CA A:ILE73 4.5 18.7 1.0 CA A:THR72 4.6 18.1 1.0 O A:HOH134 4.7 33.8 1.0 CB A:ASP68 4.7 19.6 1.0 N A:ILE73 4.7 18.1 1.0 C A:ASP66 4.7 23.0 1.0 N A:GLU67 4.7 22.8 1.0 O A:HOH112 4.7 54.8 1.0 N A:GLY71 4.8 18.6 1.0 N A:GLY69 4.8 14.1 1.0 CA A:ASP68 4.9 16.6 1.0 C A:SER70 4.9 20.8 1.0 C A:ILE73 5.0 20.5 1.0 CB A:THR72 5.0 18.0 1.0 CG A:ASP74 5.0 19.7 1.0

Calcium binding site 3 out of 4 in the X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca93 b:17.3 occ:1.00 OD1 B:ASP30 2.2 20.3 1.0 OD1 B:ASP32 2.3 22.2 1.0 O B:ASP36 2.4 19.0 1.0 O B:HOH144 2.4 22.2 1.0 OE2 B:GLU41 2.5 21.1 1.0 O B:HOH115 2.5 17.8 1.0 OE1 B:GLU41 2.5 22.0 1.0 CD B:GLU41 2.8 22.2 1.0 CG B:ASP32 3.3 23.4 1.0 CG B:ASP30 3.5 20.8 1.0 C B:ASP36 3.6 19.9 1.0 OD2 B:ASP32 3.7 25.2 1.0 OD1 B:ASP36 4.2 22.5 1.0 CA B:ASP30 4.2 19.8 1.0 N B:ASP36 4.3 18.9 1.0 N B:GLY34 4.3 18.5 1.0 CB B:ASP30 4.3 20.4 1.0 N B:ASP32 4.3 20.6 1.0 OD2 B:ASP30 4.3 21.8 1.0 CG B:GLU41 4.3 17.4 1.0 O B:HOH116 4.3 28.8 1.0 O B:HOH145 4.4 37.1 1.0 C B:ASP30 4.4 25.2 1.0 CA B:ILE37 4.5 17.1 1.0 N B:ILE37 4.5 18.5 1.0 CB B:ASP32 4.5 20.1 1.0 CA B:ASP36 4.6 18.3 1.0 N B:GLY33 4.7 22.2 1.0 CA B:ASP32 4.7 20.2 1.0 N B:ALA31 4.8 28.5 1.0 N B:SER38 4.8 16.5 1.0 O B:ASP30 4.8 25.1 1.0 N B:GLY35 4.8 16.1 1.0 CA B:GLY34 4.9 16.9 1.0 C B:ASP32 4.9 22.6 1.0 O B:HOH117 4.9 44.5 1.0

Calcium binding site 4 out of 4 in the X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of X-Ray Crystallographic Study of Calcium-Saturated N- Terminal Domain of Troponin C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca94 b:18.1 occ:1.00 OE1 B:GLU77 2.2 22.9 1.0 OD1 B:ASP66 2.3 19.1 1.0 O B:HOH122 2.3 24.2 1.0 OD1 B:ASP68 2.4 23.8 1.0 OE2 B:GLU77 2.5 20.1 1.0 O B:THR72 2.5 21.4 1.0 OG B:SER70 2.5 16.6 1.0 CD B:GLU77 2.7 21.2 1.0 CG B:ASP68 3.4 24.9 1.0 CG B:ASP66 3.5 21.3 1.0 CB B:SER70 3.7 14.8 1.0 C B:THR72 3.7 21.1 1.0 OD2 B:ASP68 3.8 27.5 1.0 N B:SER70 4.0 19.4 1.0 OG1 B:THR72 4.2 18.2 1.0 CG B:GLU77 4.2 20.6 1.0 CA B:ASP66 4.3 24.3 1.0 N B:THR72 4.3 18.5 1.0 OD2 B:ASP66 4.3 23.8 1.0 CB B:ASP66 4.3 21.6 1.0 N B:ASP68 4.3 20.4 1.0 CA B:SER70 4.4 16.0 1.0 N B:ASP74 4.5 18.4 1.0 OD2 B:ASP74 4.6 19.3 1.0 CA B:ILE73 4.6 20.0 1.0 CA B:THR72 4.6 18.2 1.0 O B:HOH148 4.6 39.3 1.0 N B:ILE73 4.6 19.9 1.0 N B:GLU67 4.6 26.3 1.0 CB B:ASP68 4.7 20.7 1.0 C B:ASP66 4.7 26.2 1.0 O B:HOH123 4.7 31.5 1.0 N B:GLY71 4.8 18.3 1.0 N B:GLY69 4.8 18.6 1.0 CA B:ASP68 4.9 17.2 1.0 C B:SER70 4.9 18.0 1.0 CG B:ASP74 4.9 19.9 1.0 C B:ILE73 4.9 20.4 1.0 C B:ASP68 5.0 17.0 1.0

N.C.Strynadka, M.Cherney, A.R.Sielecki, M.X.Li, L.B.Smillie, M.N.James. Structural Details of A Calcium-Induced Molecular Switch: X-Ray Crystallographic Analysis of the Calcium-Saturated N-Terminal Domain of Troponin C at 1.75 A Resolution. J.Mol.Biol. V. 273 238 1997.
ISSN: ISSN 0022-2836
PubMed: 9367759
DOI: 10.1006/JMBI.1997.1257