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

Protein crystallography data

The structure of Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form), PDB code: 1wrl 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 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.930, 67.460, 90.280, 90.00, 96.75, 90.00
R / Rfree (%) 24 / 27.3

Other elements in 1wrl:

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

Fluorine (F) 36 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form) (pdb code 1wrl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form), PDB code: 1wrl:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1wrl

Go back to Calcium Binding Sites List in 1wrl
Calcium binding site 1 out of 6 in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic 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 (Monoclinic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca101

b:30.2
occ:1.00
 OD1 A:ASP67 2.2 30.7 1.0
OD2 A:ASP65 2.3 32.0 1.0
O A:THR71 2.4 27.7 1.0
O A:HOH206 2.4 32.5 1.0
OG A:SER69 2.4 34.0 1.0
OE2 A:GLU76 2.5 25.1 1.0
OE1 A:GLU76 2.5 31.6 1.0
CD A:GLU76 2.8 29.0 1.0
CG A:ASP67 3.1 31.2 1.0
OD2 A:ASP67 3.3 31.6 1.0
CG A:ASP65 3.5 31.5 1.0
C A:THR71 3.5 25.6 1.0
CB A:SER69 3.6 29.9 1.0
N A:SER69 4.0 29.1 1.0
OG1 A:THR71 4.2 24.8 1.0
N A:THR71 4.2 23.4 1.0
OD1 A:ASP65 4.3 27.8 1.0
CA A:ASP65 4.3 29.8 1.0
CG A:GLU76 4.3 27.1 1.0
CA A:SER69 4.4 29.5 1.0
OD1 A:ASP73 4.4 36.9 1.0
N A:VAL72 4.4 27.8 1.0
CB A:ASP65 4.4 27.9 1.0
N A:ASP73 4.4 30.1 1.0
CA A:VAL72 4.5 27.1 1.0
CA A:THR71 4.5 24.6 1.0
CB A:ASP67 4.5 31.3 1.0
O A:HOH219 4.6 35.6 1.0
N A:ASP67 4.6 33.0 1.0
C A:ASP65 4.7 31.9 1.0
N A:GLY70 4.7 26.3 1.0
N A:GLY68 4.8 29.4 1.0
C A:SER69 4.8 27.7 1.0
CG A:ASP73 4.9 34.3 1.0
C A:VAL72 4.9 28.9 1.0
CA A:ASP67 5.0 31.3 1.0
CB A:THR71 5.0 24.0 1.0

Calcium binding site 2 out of 6 in 1wrl

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Calcium binding site 2 out of 6 in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic 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 (Monoclinic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca102

b:24.6
occ:1.00
 OD1 B:ASP67 2.1 31.1 1.0
OD2 B:ASP65 2.3 26.5 1.0
OE1 B:GLU76 2.3 28.0 1.0
O B:THR71 2.3 29.2 1.0
O B:HOH214 2.5 30.6 1.0
OE2 B:GLU76 2.5 26.9 1.0
OG B:SER69 2.6 26.0 1.0
CD B:GLU76 2.7 31.5 1.0
CG B:ASP67 3.1 32.3 1.0
OD2 B:ASP67 3.4 30.5 1.0
C B:THR71 3.5 27.8 1.0
CG B:ASP65 3.6 29.2 1.0
CB B:SER69 3.7 26.4 1.0
N B:SER69 4.1 27.3 1.0
CA B:ASP65 4.1 28.8 1.0
OG1 B:THR71 4.2 28.9 1.0
N B:THR71 4.2 27.6 1.0
CG B:GLU76 4.2 29.9 1.0
CB B:ASP67 4.4 28.0 1.0
CA B:SER69 4.4 28.2 1.0
N B:ASP67 4.4 30.5 1.0
CB B:ASP65 4.4 26.3 1.0
N B:VAL72 4.4 25.9 1.0
CA B:VAL72 4.4 26.3 1.0
OD1 B:ASP65 4.5 29.5 1.0
CA B:THR71 4.5 27.0 1.0
C B:ASP65 4.5 29.9 1.0
OD1 B:ASP73 4.6 36.6 1.0
N B:ASP73 4.6 25.0 1.0
N B:GLY70 4.7 29.1 1.0
N B:GLU66 4.7 30.8 1.0
N B:GLY68 4.8 25.8 1.0
C B:SER69 4.8 28.0 1.0
CA B:ASP67 4.8 28.2 1.0
C B:ASP67 4.9 28.9 1.0
CG B:ASP73 4.9 30.1 1.0
C B:VAL72 5.0 27.1 1.0
CB B:THR71 5.0 27.2 1.0

Calcium binding site 3 out of 6 in 1wrl

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Calcium binding site 3 out of 6 in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form)


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 N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca103

b:48.8
occ:1.00
 OG C:SER69 2.1 56.7 1.0
OD2 C:ASP65 2.2 58.0 1.0
OE2 C:GLU76 2.4 50.1 1.0
OE1 C:GLU76 2.4 50.0 1.0
O C:THR71 2.5 47.2 1.0
OD1 C:ASP67 2.5 68.6 1.0
O C:HOH218 2.5 34.4 1.0
CD C:GLU76 2.8 47.5 1.0
CG C:ASP65 3.3 58.4 1.0
CB C:SER69 3.3 54.6 1.0
CG C:ASP67 3.6 65.6 1.0
C C:THR71 3.7 46.8 1.0
N C:SER69 3.9 55.7 1.0
OD1 C:ASP65 4.0 58.7 1.0
CA C:ASP65 4.1 58.5 1.0
CA C:SER69 4.1 54.2 1.0
OD2 C:ASP67 4.2 64.9 1.0
CB C:ASP65 4.2 57.6 1.0
CG C:GLU76 4.3 44.8 1.0
N C:THR71 4.3 49.3 1.0
N C:ASP67 4.4 63.9 1.0
N C:GLU66 4.4 63.4 1.0
N C:GLY70 4.5 49.6 1.0
OG1 C:THR71 4.5 47.1 1.0
CA C:THR71 4.6 47.8 1.0
N C:VAL72 4.6 44.8 1.0
C C:ASP65 4.6 61.4 1.0
CA C:VAL72 4.6 42.6 1.0
C C:SER69 4.6 52.8 1.0
N C:ASP73 4.8 45.4 1.0
C C:ASP67 4.8 61.7 1.0
CB C:ASP67 4.9 64.3 1.0
CA C:ASP67 4.9 62.9 1.0
N C:GLY68 4.9 60.0 1.0

Calcium binding site 4 out of 6 in 1wrl

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Calcium binding site 4 out of 6 in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca104

b:52.6
occ:1.00
 O D:THR71 2.3 65.9 1.0
OE1 D:GLU76 2.3 45.5 1.0
OG D:SER69 2.3 76.0 1.0
OD1 D:ASP67 2.4 78.8 1.0
OD2 D:ASP65 2.6 64.5 1.0
OE2 D:GLU76 2.7 40.3 1.0
CD D:GLU76 2.9 43.9 1.0
C D:THR71 3.2 64.3 1.0
CG D:ASP67 3.4 76.9 1.0
CG D:ASP65 3.4 64.8 1.0
OG1 D:THR71 3.5 69.3 1.0
CB D:SER69 3.7 74.3 1.0
OD2 D:ASP67 3.8 76.2 1.0
N D:VAL72 3.9 59.6 1.0
OD1 D:ASP65 4.0 64.6 1.0
CA D:VAL72 4.0 54.2 1.0
CA D:THR71 4.1 67.1 1.0
N D:THR71 4.2 68.2 1.0
N D:ASP73 4.3 46.2 1.0
CG D:GLU76 4.4 41.7 1.0
CB D:ASP65 4.4 64.7 1.0
CB D:THR71 4.4 68.2 1.0
N D:SER69 4.5 74.6 1.0
CA D:ASP65 4.5 66.5 1.0
C D:VAL72 4.5 51.4 1.0
CA D:SER69 4.6 73.8 1.0
O D:HOH214 4.6 44.8 1.0
CB D:ASP67 4.7 75.7 1.0
C D:SER69 4.8 72.8 1.0
CG D:ASP73 4.9 53.2 1.0
OD1 D:ASP73 5.0 55.2 1.0

Calcium binding site 5 out of 6 in 1wrl

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Calcium binding site 5 out of 6 in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca105

b:31.7
occ:1.00
 OD1 E:ASP67 2.2 47.7 1.0
OE2 E:GLU76 2.3 37.1 1.0
O E:THR71 2.3 27.4 1.0
OD2 E:ASP65 2.4 31.1 1.0
O E:HOH215 2.5 32.3 1.0
OE1 E:GLU76 2.6 38.0 1.0
OG E:SER69 2.6 31.4 1.0
CD E:GLU76 2.8 36.9 1.0
CG E:ASP67 3.3 40.7 1.0
C E:THR71 3.5 25.8 1.0
OD2 E:ASP67 3.6 40.2 1.0
CG E:ASP65 3.7 34.6 1.0
CB E:SER69 3.7 32.5 1.0
N E:SER69 4.1 34.8 1.0
OG1 E:THR71 4.2 29.5 1.0
N E:THR71 4.2 26.4 1.0
CG E:GLU76 4.3 35.3 1.0
CA E:ASP65 4.3 33.0 1.0
N E:VAL72 4.4 26.6 1.0
CA E:THR71 4.4 26.8 1.0
CA E:VAL72 4.4 27.9 1.0
CA E:SER69 4.4 31.6 1.0
OD1 E:ASP65 4.5 31.2 1.0
N E:ASP67 4.5 37.0 1.0
CB E:ASP65 4.6 32.8 1.0
CB E:ASP67 4.6 38.8 1.0
N E:ASP73 4.6 32.8 1.0
N E:GLY70 4.7 30.1 1.0
C E:ASP65 4.8 33.4 1.0
OD1 E:ASP73 4.8 41.2 1.0
N E:GLY68 4.8 37.7 1.0
N E:GLU66 4.8 34.4 1.0
C E:SER69 4.9 31.5 1.0
CB E:THR71 4.9 27.2 1.0
CA E:ASP67 4.9 36.8 1.0
C E:ASP67 4.9 37.0 1.0

Calcium binding site 6 out of 6 in 1wrl

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Calcium binding site 6 out of 6 in the Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of the N-Terminal Domain of Human Cardiac Troponin C in Complex with Trifluoperazine (Monoclinic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca106

b:57.7
occ:1.00
 OD2 F:ASP67 2.3 89.4 1.0
OE1 F:GLU76 2.5 63.5 1.0
OE2 F:GLU76 2.5 63.9 1.0
O F:THR71 2.6 73.0 1.0
OD2 F:ASP65 2.7 80.2 1.0
CD F:GLU76 2.7 63.9 1.0
OG F:SER69 2.9 73.9 1.0
CG F:ASP67 3.0 87.9 1.0
OD1 F:ASP67 3.1 88.8 1.0
CG F:ASP65 3.7 80.5 1.0
C F:THR71 3.7 72.7 1.0
CB F:SER69 4.0 77.4 1.0
CG F:GLU76 4.2 60.7 1.0
CA F:VAL72 4.2 69.0 1.0
CA F:ASP65 4.3 78.9 1.0
N F:ASP73 4.3 66.4 1.0
OD1 F:ASP65 4.4 78.1 1.0
N F:VAL72 4.4 71.3 1.0
CB F:ASP67 4.4 86.1 1.0
CB F:ASP65 4.5 79.2 1.0
N F:SER69 4.5 80.3 1.0
N F:THR71 4.7 74.5 1.0
C F:ASP65 4.7 80.8 1.0
C F:VAL72 4.7 68.0 1.0
N F:ASP67 4.7 83.6 1.0
N F:GLY68 4.7 83.5 1.0
CG F:ASP73 4.7 68.9 1.0
OG1 F:THR71 4.8 78.2 1.0
CA F:THR71 4.8 74.0 1.0
OD1 F:ASP73 4.8 70.8 1.0
CA F:SER69 4.8 78.8 1.0
C F:ASP67 4.9 84.1 1.0
CA F:ASP67 4.9 84.5 1.0
N F:GLY70 4.9 78.1 1.0
OD2 F:ASP73 5.0 70.1 1.0

Reference:

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.
Page generated: Tue Jul 8 03:17:22 2025

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