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

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

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:

Calcium

(Ca)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 36 binding sites of Fluorine 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 Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 36 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 Fluorine with other atoms in the F 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:F202 b:59.6 occ:1.00 F1 A:TFP202 0.0 59.6 1.0 C21 A:TFP202 1.3 58.1 1.0 F2 A:TFP202 2.0 63.1 1.0 F3 A:TFP202 2.0 59.1 1.0 C1 A:TFP202 2.4 54.7 1.0 C6 A:TFP202 2.8 49.8 1.0 CE A:MET60 3.5 33.0 1.0 C2 A:TFP202 3.5 49.7 1.0 CG A:MET80 4.1 40.2 1.0 C5 A:TFP202 4.2 48.7 1.0 CB A:SER84 4.4 68.6 1.0 O A:MET80 4.5 31.3 1.0 C11 A:TFP204 4.6 58.2 1.0 C10 A:TFP204 4.7 56.5 1.0 C3 A:TFP202 4.7 49.2 1.0 SD A:MET80 4.7 41.5 1.0 OG A:SER84 4.8 66.6 1.0 O A:HOH223 4.9 43.0 1.0 C4 A:TFP202 5.0 49.9 1.0 C12 A:TFP204 5.0 55.8 1.0

Fluorine binding site 2 out of 36 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 Fluorine with other atoms in the F 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 A:F202 b:63.1 occ:1.00 F2 A:TFP202 0.0 63.1 1.0 C21 A:TFP202 1.3 58.1 1.0 F3 A:TFP202 1.9 59.1 1.0 F1 A:TFP202 2.0 59.6 1.0 C1 A:TFP202 2.4 54.7 1.0 C2 A:TFP202 2.9 49.7 1.0 CG A:MET80 3.4 40.2 1.0 CE A:MET80 3.5 44.4 1.0 C6 A:TFP202 3.6 49.8 1.0 SD A:MET80 3.8 41.5 1.0 C3 A:TFP202 4.2 49.2 1.0 CE A:MET60 4.3 33.0 1.0 O A:MET80 4.4 31.3 1.0 SD A:MET81 4.5 38.8 1.0 CB A:MET80 4.6 35.0 1.0 C A:MET80 4.7 32.5 1.0 C5 A:TFP202 4.8 48.7 1.0 F3 A:TFP204 4.9 61.7 1.0 C6 A:TFP204 4.9 59.9 1.0

Fluorine binding site 3 out of 36 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 Fluorine with other atoms in the F 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 A:F202 b:59.1 occ:1.00 F3 A:TFP202 0.0 59.1 1.0 C21 A:TFP202 1.3 58.1 1.0 F2 A:TFP202 1.9 63.1 1.0 F1 A:TFP202 2.0 59.6 1.0 C1 A:TFP202 2.4 54.7 1.0 C6 A:TFP202 3.1 49.8 1.0 C11 A:TFP204 3.4 58.2 1.0 C2 A:TFP202 3.4 49.7 1.0 C12 A:TFP204 3.6 55.8 1.0 OG A:SER84 3.8 66.6 1.0 N1 A:TFP204 3.8 58.1 1.0 C5 A:TFP204 4.0 57.8 1.0 CB A:SER84 4.0 68.6 1.0 C10 A:TFP204 4.1 56.5 1.0 O A:MET80 4.1 31.3 1.0 C6 A:TFP204 4.1 59.9 1.0 SD A:MET81 4.4 38.8 1.0 C5 A:TFP202 4.4 48.7 1.0 C7 A:TFP204 4.5 54.9 1.0 C14 A:TFP204 4.5 62.9 1.0 CG A:MET80 4.5 40.2 1.0 C3 A:TFP202 4.6 49.2 1.0 C A:MET80 4.7 32.5 1.0 C13 A:TFP204 4.7 61.8 1.0 CA A:MET81 4.8 35.4 1.0 C9 A:TFP204 4.8 54.3 1.0 C4 A:TFP204 4.9 58.0 1.0 CE A:MET81 4.9 42.3 1.0

Fluorine binding site 4 out of 36 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 Fluorine with other atoms in the F 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 A:F204 b:61.2 occ:1.00 F1 A:TFP204 0.0 61.2 1.0 C21 A:TFP204 1.3 61.0 1.0 F2 A:TFP204 2.0 59.9 1.0 F3 A:TFP204 2.0 61.7 1.0 C1 A:TFP204 2.4 59.9 1.0 C2 A:TFP204 2.8 59.5 1.0 CZ A:PHE27 3.1 46.3 1.0 CE2 A:PHE27 3.4 46.6 1.0 C6 A:TFP204 3.6 59.9 1.0 C3 A:TFP204 4.2 57.5 1.0 CD1 B:LEU48 4.3 40.4 1.0 CE1 A:PHE27 4.3 45.2 1.0 CD2 B:LEU48 4.4 36.8 1.0 CG1 A:VAL44 4.6 30.4 1.0 C3 B:TFP203 4.7 58.7 1.0 CD2 A:PHE27 4.7 46.7 1.0 CD1 A:LEU48 4.8 31.5 1.0 C5 A:TFP204 4.8 57.8 1.0 CB A:ALA23 4.8 24.8 1.0 CG B:LEU48 4.9 39.8 1.0

Fluorine binding site 5 out of 36 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 Fluorine with other atoms in the F 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 A:F204 b:59.9 occ:1.00 F2 A:TFP204 0.0 59.9 1.0 C21 A:TFP204 1.3 61.0 1.0 F3 A:TFP204 1.9 61.7 1.0 F1 A:TFP204 2.0 61.2 1.0 C1 A:TFP204 2.4 59.9 1.0 C6 A:TFP204 3.0 59.9 1.0 C2 A:TFP204 3.6 59.5 1.0 CE A:MET81 3.6 42.3 1.0 SD A:MET81 4.0 38.8 1.0 CE2 A:PHE27 4.2 46.6 1.0 S B:TFP203 4.3 58.8 1.0 C5 A:TFP204 4.3 57.8 1.0 CZ A:PHE27 4.3 46.3 1.0 CZ A:PHE77 4.4 23.8 1.0 C9 B:TFP201 4.4 52.1 1.0 CB A:ALA23 4.4 24.8 1.0 C3 B:TFP203 4.5 58.7 1.0 C8 B:TFP201 4.6 53.5 1.0 C3 A:TFP204 4.7 57.5 1.0 C4 B:TFP203 4.8 60.9 1.0

Fluorine binding site 6 out of 36 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 Fluorine with other atoms in the F 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 A:F204 b:61.7 occ:1.00 F3 A:TFP204 0.0 61.7 1.0 C21 A:TFP204 1.3 61.0 1.0 F2 A:TFP204 1.9 59.9 1.0 F1 A:TFP204 2.0 61.2 1.0 C1 A:TFP204 2.4 59.9 1.0 C6 A:TFP204 3.1 59.9 1.0 C2 A:TFP204 3.4 59.5 1.0 CE2 A:PHE27 3.6 46.6 1.0 CZ A:PHE77 3.7 23.8 1.0 SD A:MET81 3.8 38.8 1.0 CZ A:PHE27 4.0 46.3 1.0 CE1 A:PHE77 4.1 24.1 1.0 CE A:MET81 4.1 42.3 1.0 C2 A:TFP202 4.3 49.7 1.0 C5 A:TFP204 4.4 57.8 1.0 CD2 A:PHE27 4.6 46.7 1.0 C3 A:TFP204 4.7 57.5 1.0 C3 A:TFP202 4.7 49.2 1.0 CE2 A:PHE77 4.8 25.1 1.0 F2 A:TFP202 4.9 63.1 1.0

Fluorine binding site 7 out of 36 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 Fluorine with other atoms in the F binding site number 7 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:F203 b:64.4 occ:1.00 F1 B:TFP203 0.0 64.4 1.0 C21 B:TFP203 1.3 63.1 1.0 F2 B:TFP203 2.0 60.3 1.0 F3 B:TFP203 2.0 62.4 1.0 C1 B:TFP203 2.3 62.0 1.0 C2 B:TFP203 2.8 60.0 1.0 CZ B:PHE27 3.0 37.4 1.0 CE2 B:PHE27 3.1 35.6 1.0 C6 B:TFP203 3.5 63.5 1.0 CG1 B:VAL44 3.9 30.0 1.0 C3 B:TFP203 4.2 58.7 1.0 CE1 B:PHE27 4.2 40.9 1.0 CD2 B:PHE27 4.4 35.9 1.0 CD2 A:LEU48 4.5 36.6 1.0 C5 B:TFP203 4.7 61.3 1.0 C2 B:TFP201 4.9 57.0 1.0 CZ B:PHE77 4.9 19.6 1.0 CD1 B:LEU48 4.9 40.4 1.0 CB B:ALA23 4.9 21.9 1.0 C3 B:TFP201 5.0 54.8 1.0 C4 B:TFP203 5.0 60.9 1.0

Fluorine binding site 8 out of 36 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 Fluorine with other atoms in the F binding site number 8 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:F203 b:60.3 occ:1.00 F2 B:TFP203 0.0 60.3 1.0 C21 B:TFP203 1.3 63.1 1.0 F3 B:TFP203 1.9 62.4 1.0 F1 B:TFP203 2.0 64.4 1.0 C1 B:TFP203 2.4 62.0 1.0 C6 B:TFP203 3.1 63.5 1.0 C2 B:TFP203 3.3 60.0 1.0 CZ B:PHE27 4.0 37.4 1.0 CE2 B:PHE27 4.1 35.6 1.0 CB B:ALA23 4.1 21.9 1.0 C9 A:TFP202 4.1 42.3 1.0 C3 A:TFP204 4.2 57.5 1.0 C8 A:TFP202 4.3 43.4 1.0 S A:TFP204 4.3 53.9 1.0 C5 B:TFP203 4.4 61.3 1.0 C3 B:TFP203 4.6 58.7 1.0 SD B:MET81 4.6 35.7 1.0 C4 A:TFP204 4.6 58.0 1.0 CZ B:PHE77 4.7 19.6 1.0 CD1 A:LEU48 4.8 31.5 1.0 C10 A:TFP202 4.9 41.7 1.0 CD2 A:LEU48 4.9 36.6 1.0

Fluorine binding site 9 out of 36 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 Fluorine with other atoms in the F binding site number 9 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:F203 b:62.4 occ:1.00 F3 B:TFP203 0.0 62.4 1.0 C21 B:TFP203 1.3 63.1 1.0 F2 B:TFP203 1.9 60.3 1.0 F1 B:TFP203 2.0 64.4 1.0 C1 B:TFP203 2.4 62.0 1.0 C6 B:TFP203 2.9 63.5 1.0 CZ B:PHE77 3.4 19.6 1.0 SD B:MET81 3.5 35.7 1.0 C2 B:TFP203 3.6 60.0 1.0 CE2 B:PHE27 3.6 35.6 1.0 CE B:MET81 3.7 33.2 1.0 CE1 B:PHE77 4.0 21.2 1.0 CZ B:PHE27 4.2 37.4 1.0 C5 B:TFP203 4.2 61.3 1.0 CE2 B:PHE77 4.5 19.8 1.0 CD2 B:PHE27 4.8 35.9 1.0 C3 B:TFP203 4.8 58.7 1.0 C2 B:TFP201 4.8 57.0 1.0 CB B:ALA23 4.9 21.9 1.0

Fluorine binding site 10 out of 36 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 Fluorine with other atoms in the F binding site number 10 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:F201 b:67.7 occ:1.00 F1 B:TFP201 0.0 67.7 1.0 C21 B:TFP201 1.3 66.0 1.0 F2 B:TFP201 2.0 67.7 1.0 F3 B:TFP201 2.0 70.2 1.0 C1 B:TFP201 2.3 62.6 1.0 C6 B:TFP201 3.2 58.4 1.0 C2 B:TFP201 3.2 57.0 1.0 CE B:MET81 3.4 33.2 1.0 C11 B:TFP203 3.4 64.0 1.0 C12 B:TFP203 3.5 61.5 1.0 N1 B:TFP203 3.7 60.9 1.0 C5 B:TFP203 3.9 61.3 1.0 C6 B:TFP203 4.0 63.5 1.0 OG B:SER84 4.1 73.8 1.0 C10 B:TFP203 4.1 63.5 1.0 O B:MET80 4.2 31.1 1.0 SD B:MET81 4.3 35.7 1.0 CG B:MET80 4.3 36.6 1.0 C7 B:TFP203 4.4 61.4 1.0 C5 B:TFP201 4.4 54.4 1.0 C3 B:TFP201 4.5 54.8 1.0 C13 B:TFP203 4.6 62.1 1.0 C4 B:TFP203 4.7 60.9 1.0 C B:MET80 4.7 34.3 1.0 SD B:MET80 4.7 36.4 1.0 C14 B:TFP203 4.7 62.9 1.0 CA B:MET81 4.8 37.6 1.0 C9 B:TFP203 4.8 62.3 1.0 C1 B:TFP203 4.9 62.0 1.0 C8 B:TFP203 5.0 60.5 1.0 C4 B:TFP201 5.0 54.5 1.0 N B:MET81 5.0 35.3 1.0

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.