Calcium in PDB 1dtl: Crystal Structure of Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 A Resolution

The structure of Crystal Structure of Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 A Resolution, PDB code: 1dtl was solved by Y.Li, M.L.Love, J.A.Putkey, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	500.00 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.270, 62.040, 62.040, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 27.6

The binding sites of Calcium atom in the Crystal Structure of Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 A Resolution (pdb code 1dtl). 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 Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 A Resolution, PDB code: 1dtl:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 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 Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:28.7 occ:1.00 O A:HOH414 2.3 40.1 1.0 OG A:SER69 2.3 23.1 1.0 O A:THR71 2.3 18.3 1.0 OD2 A:ASP65 2.3 22.7 1.0 OD1 A:ASP67 2.3 24.3 1.0 OE2 A:GLU76 2.5 19.8 1.0 OE1 A:GLU76 2.6 19.5 1.0 CD A:GLU76 2.9 22.1 1.0 CG A:ASP65 3.3 26.9 1.0 CG A:ASP67 3.3 27.3 1.0 CB A:SER69 3.5 24.8 1.0 C A:THR71 3.5 18.6 1.0 OD2 A:ASP67 3.7 31.0 1.0 OD1 A:ASP65 4.0 25.9 1.0 N A:SER69 4.1 29.0 1.0 O A:HOH456 4.1 38.8 1.0 N A:THR71 4.2 20.5 1.0 CB A:ASP65 4.3 28.4 1.0 OG1 A:THR71 4.3 28.5 1.0 CA A:SER69 4.3 27.7 1.0 CA A:ASP65 4.3 31.1 1.0 N A:VAL72 4.4 19.1 1.0 CA A:VAL72 4.4 17.9 1.0 CG A:GLU76 4.4 20.2 1.0 N A:ASP67 4.4 29.4 1.0 CA A:THR71 4.4 19.4 1.0 N A:ASP73 4.5 13.3 1.0 CB A:ASP67 4.6 26.3 1.0 N A:GLY70 4.7 22.7 1.0 OD1 A:ASP73 4.7 35.5 1.0 C A:ASP65 4.7 32.9 1.0 N A:GLU66 4.7 26.0 1.0 C A:SER69 4.8 27.5 1.0 CG A:ASP73 4.9 33.0 1.0 CA A:ASP67 4.9 28.7 1.0 N A:GLY68 4.9 27.6 1.0 C A:VAL72 4.9 17.7 1.0 C A:ASP67 5.0 29.2 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 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 Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:26.1 occ:1.00 OD1 A:ASP105 2.3 12.2 1.0 OD1 A:ASN107 2.3 20.7 1.0 O A:TYR111 2.4 13.3 1.0 OE2 A:GLU116 2.6 15.4 1.0 O A:HOH408 2.6 25.2 1.0 OD1 A:ASP109 2.6 19.7 1.0 OE1 A:GLU116 2.7 13.4 1.0 CD A:GLU116 3.0 14.2 1.0 CG A:ASP109 3.3 20.3 1.0 CG A:ASN107 3.4 22.7 1.0 CG A:ASP105 3.4 18.0 1.0 C A:TYR111 3.5 14.9 1.0 OD2 A:ASP109 3.5 19.4 1.0 ND2 A:ASN107 3.8 20.4 1.0 CA A:ASP105 4.0 13.8 1.0 N A:TYR111 4.1 14.9 1.0 CB A:ASP105 4.1 17.1 1.0 OD2 A:ASP105 4.2 16.0 1.0 CA A:TYR111 4.2 16.4 1.0 N A:ASP109 4.3 19.2 1.0 C A:ASP105 4.3 14.7 1.0 N A:ILE112 4.4 11.8 1.0 CG A:GLU116 4.4 12.8 1.0 N A:ASN107 4.4 19.2 1.0 CB A:TYR111 4.5 16.2 1.0 CA A:ILE112 4.5 9.9 1.0 CB A:ASP109 4.6 19.4 1.0 N A:LYS106 4.6 16.2 1.0 O A:HOH477 4.6 23.4 1.0 OD2 A:ASP113 4.6 20.8 1.0 N A:ALA108 4.7 22.7 1.0 CB A:ASN107 4.7 23.1 1.0 N A:ASP113 4.8 15.6 1.0 CA A:ASP109 4.9 16.8 1.0 O A:ASP105 4.9 15.3 1.0 CA A:ASN107 4.9 20.2 1.0 C A:ASN107 4.9 20.6 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 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 Calcium-Saturated (3CA2+) Cardiac Troponin C Complexed with the Calcium Sensitizer Bepridil at 2.15 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:24.8 occ:1.00 O A:ARG147 2.3 14.5 1.0 O A:HOH413 2.4 27.9 1.0 OD1 A:ASN143 2.5 10.1 1.0 OD2 A:ASP141 2.5 24.8 1.0 OE1 A:GLU152 2.5 9.7 1.0 OD1 A:ASP145 2.5 13.9 1.0 OE2 A:GLU152 2.7 11.0 1.0 CD A:GLU152 2.9 11.9 1.0 CG A:ASP145 3.2 18.9 1.0 CG A:ASN143 3.3 12.9 1.0 C A:ARG147 3.4 16.9 1.0 OD2 A:ASP145 3.5 17.6 1.0 CG A:ASP141 3.6 24.7 1.0 ND2 A:ASN143 3.7 13.0 1.0 CA A:ASP141 4.1 20.6 1.0 N A:ARG147 4.2 18.4 1.0 N A:ASN143 4.2 17.9 1.0 N A:ILE148 4.2 11.0 1.0 CA A:ILE148 4.3 7.2 1.0 CB A:ASP141 4.3 23.0 1.0 N A:ASP145 4.3 27.5 1.0 CA A:ARG147 4.3 16.8 1.0 CG A:GLU152 4.4 12.0 1.0 OD1 A:ASP141 4.4 23.6 1.0 CB A:ASP145 4.4 20.6 1.0 N A:LYS142 4.4 27.6 1.0 C A:ASP141 4.5 22.5 1.0 N A:ASP149 4.5 12.3 1.0 OD2 A:ASP149 4.6 20.8 1.0 CB A:ASN143 4.6 14.2 1.0 CB A:ARG147 4.7 16.7 1.0 N A:ASN144 4.8 33.0 1.0 CA A:ASN143 4.8 17.3 1.0 CA A:ASP145 4.8 24.7 1.0 C A:ILE148 4.8 9.3 1.0 C A:ASN143 4.9 18.7 1.0

Y.Li, M.L.Love, J.A.Putkey, C.Cohen. Bepridil Opens the Regulatory N-Terminal Lobe of Cardiac Troponin C. Proc.Natl.Acad.Sci.Usa V. 97 5140 2000.
ISSN: ISSN 0027-8424
PubMed: 10792039
DOI: 10.1073/PNAS.090098997