Calcium in PDB 1lin: Calmodulin Complexed with Trifluoperazine (1:4 Complex)

The structure of Calmodulin Complexed with Trifluoperazine (1:4 Complex), PDB code: 1lin was solved by M.Vandonselaar, R.A.Hickie, J.W.Quail, L.T.J.Delbaere, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	40.660, 40.660, 177.400, 90.00, 90.00, 120.00
R / Rfree (%)	22 / n/a

The structure of Calmodulin Complexed with Trifluoperazine (1:4 Complex) also contains other interesting chemical elements:

Fluorine

(F)

12 atoms

The binding sites of Calcium atom in the Calmodulin Complexed with Trifluoperazine (1:4 Complex) (pdb code 1lin). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Calmodulin Complexed with Trifluoperazine (1:4 Complex), PDB code: 1lin:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Calmodulin Complexed with Trifluoperazine (1:4 Complex)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calmodulin Complexed with Trifluoperazine (1:4 Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca149 b:20.1 occ:1.00 O A:THR26 2.2 18.5 1.0 OD1 A:ASP20 2.3 24.4 1.0 O A:HOH173 2.3 27.4 1.0 OD1 A:ASP22 2.3 25.9 1.0 OD1 A:ASP24 2.3 26.7 1.0 OE2 A:GLU31 2.4 16.3 1.0 OE1 A:GLU31 2.5 15.0 1.0 CD A:GLU31 2.8 16.6 1.0 CG A:ASP24 3.3 23.7 1.0 CG A:ASP22 3.3 29.9 1.0 C A:THR26 3.4 19.8 1.0 CG A:ASP20 3.4 21.6 1.0 OD2 A:ASP22 3.6 34.1 1.0 OD2 A:ASP24 3.8 25.9 1.0 CA A:ASP20 4.0 19.5 1.0 OG1 A:THR26 4.1 31.4 1.0 N A:THR26 4.1 22.3 1.0 N A:ASP24 4.2 27.4 1.0 CB A:ASP20 4.2 19.1 1.0 CG A:GLU31 4.3 16.7 1.0 C A:ASP20 4.3 22.3 1.0 CA A:THR26 4.3 22.8 1.0 N A:ILE27 4.3 17.9 1.0 CB A:ASP24 4.4 25.3 1.0 OD2 A:ASP20 4.4 19.9 1.0 CA A:ILE27 4.4 18.0 1.0 N A:ASP22 4.4 30.5 1.0 N A:LYS21 4.5 25.5 1.0 CB A:ASP22 4.6 29.4 1.0 N A:GLY23 4.6 31.2 1.0 O A:HOH159 4.6 26.0 1.0 CA A:ASP24 4.7 25.9 1.0 CG2 A:THR28 4.8 13.5 1.0 O A:ASP20 4.8 24.2 1.0 N A:GLY25 4.8 28.1 1.0 N A:THR28 4.8 15.3 1.0 CB A:THR26 4.8 25.9 1.0 CA A:ASP22 4.9 30.5 1.0 C A:ASP24 4.9 26.9 1.0 C A:ASP22 5.0 30.8 1.0

Calcium binding site 2 out of 4 in the Calmodulin Complexed with Trifluoperazine (1:4 Complex)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calmodulin Complexed with Trifluoperazine (1:4 Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:25.0 occ:1.00 O A:HOH181 2.1 29.3 1.0 OD1 A:ASP56 2.1 29.7 1.0 OD1 A:ASN60 2.3 30.4 1.0 OE2 A:GLU67 2.3 29.3 1.0 O A:THR62 2.4 24.8 1.0 OD1 A:ASP58 2.4 33.6 1.0 OE1 A:GLU67 2.5 26.2 1.0 CD A:GLU67 2.7 26.2 1.0 CG A:ASN60 3.3 32.0 1.0 CG A:ASP56 3.3 32.4 1.0 CG A:ASP58 3.5 33.0 1.0 C A:THR62 3.6 26.4 1.0 ND2 A:ASN60 3.8 33.7 1.0 OD2 A:ASP58 4.0 34.0 1.0 OD2 A:ASP56 4.1 34.5 1.0 N A:ASN60 4.2 32.9 1.0 CG A:GLU67 4.2 23.3 1.0 N A:ASP58 4.3 34.2 1.0 CA A:ASP56 4.3 33.0 1.0 N A:THR62 4.4 30.4 1.0 CB A:ASP56 4.4 29.9 1.0 N A:ALA57 4.4 36.9 1.0 CA A:ILE63 4.4 20.6 1.0 N A:ILE63 4.4 24.1 1.0 CB A:ASN60 4.5 31.2 1.0 OD2 A:ASP64 4.6 28.0 1.0 CA A:THR62 4.6 26.8 1.0 N A:GLY59 4.6 36.8 1.0 N A:ASP64 4.6 21.1 1.0 C A:ASP56 4.6 35.7 1.0 OG1 A:THR62 4.7 26.2 1.0 CB A:ASP58 4.7 32.1 1.0 CA A:ASN60 4.7 31.8 1.0 CA A:ASP58 4.8 33.9 1.0 C A:ASP58 4.8 36.1 1.0 CG A:ASP64 4.8 21.3 1.0 N A:GLY61 4.9 31.2 1.0 CD1 A:ILE63 4.9 23.9 1.0 C A:ASN60 5.0 32.1 1.0

Calcium binding site 3 out of 4 in the Calmodulin Complexed with Trifluoperazine (1:4 Complex)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calmodulin Complexed with Trifluoperazine (1:4 Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca151 b:12.7 occ:1.00 OD1 A:ASP93 2.2 13.2 1.0 O A:HOH205 2.2 20.9 1.0 O A:TYR99 2.2 14.7 1.0 OD1 A:ASP95 2.3 17.9 1.0 OD1 A:ASN97 2.3 16.0 1.0 OE2 A:GLU104 2.4 21.5 1.0 OE1 A:GLU104 2.4 17.9 1.0 CD A:GLU104 2.7 17.6 1.0 CG A:ASP95 3.2 16.0 1.0 CG A:ASN97 3.4 15.3 1.0 CG A:ASP93 3.4 10.4 1.0 C A:TYR99 3.4 12.1 1.0 OD2 A:ASP95 3.6 21.4 1.0 ND2 A:ASN97 4.0 12.2 1.0 N A:TYR99 4.1 10.8 1.0 CA A:ASP93 4.1 13.2 1.0 OD2 A:ASP93 4.2 12.8 1.0 N A:ASN97 4.2 17.2 1.0 CG A:GLU104 4.2 16.1 1.0 CB A:ASP93 4.3 8.9 1.0 CA A:TYR99 4.3 12.0 1.0 N A:ASP95 4.3 22.5 1.0 N A:ILE100 4.4 12.7 1.0 CB A:ASP95 4.4 16.4 1.0 C A:ASP93 4.5 15.2 1.0 CB A:ASN97 4.5 16.0 1.0 O A:HOH165 4.5 21.9 1.0 CA A:ILE100 4.5 11.9 1.0 N A:GLY96 4.6 17.0 1.0 CB A:TYR99 4.7 8.2 1.0 CA A:ASP95 4.7 18.3 1.0 N A:LYS94 4.7 17.8 1.0 CA A:ASN97 4.7 15.1 1.0 N A:SER101 4.8 12.9 1.0 N A:GLY98 4.8 15.1 1.0 O A:ASP93 4.9 17.0 1.0 C A:ASP95 4.9 17.9 1.0

Calcium binding site 4 out of 4 in the Calmodulin Complexed with Trifluoperazine (1:4 Complex)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Calmodulin Complexed with Trifluoperazine (1:4 Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca152 b:14.0 occ:1.00 O A:GLN135 2.2 13.4 1.0 OD1 A:ASP129 2.3 8.6 1.0 OE1 A:GLU140 2.4 12.8 1.0 OD1 A:ASP133 2.4 14.6 1.0 O A:HOH166 2.4 11.6 0.8 OD1 A:ASP131 2.4 17.1 1.0 OE2 A:GLU140 2.7 15.0 1.0 CD A:GLU140 2.9 11.7 1.0 CG A:ASP133 3.4 11.8 1.0 CG A:ASP129 3.4 8.1 1.0 C A:GLN135 3.4 11.8 1.0 CG A:ASP131 3.5 14.7 1.0 OD2 A:ASP133 3.9 14.3 1.0 OD2 A:ASP131 3.9 20.6 1.0 N A:GLN135 4.1 10.1 1.0 OD2 A:ASP129 4.1 11.9 1.0 N A:ASP133 4.1 14.1 1.0 CA A:ASP129 4.3 13.9 1.0 N A:ASP131 4.3 14.4 1.0 N A:VAL136 4.3 14.7 1.0 N A:ILE130 4.3 17.4 1.0 CA A:VAL136 4.3 12.5 1.0 CB A:ASP129 4.3 10.5 1.0 CA A:GLN135 4.3 9.5 1.0 CG A:GLU140 4.3 8.9 1.0 N A:GLY132 4.4 9.6 1.0 N A:ASN137 4.5 13.9 1.0 CB A:ASP133 4.5 10.9 1.0 N A:GLY134 4.7 12.3 1.0 C A:ASP129 4.7 17.0 1.0 CB A:ASP131 4.7 14.4 1.0 CA A:ASP133 4.7 12.8 1.0 CA A:ASP131 4.8 13.1 1.0 C A:VAL136 4.8 13.9 1.0 CB A:GLN135 4.9 11.6 1.0 C A:ASP131 4.9 10.8 1.0 C A:ASP133 5.0 14.0 1.0

M.Vandonselaar, R.A.Hickie, J.W.Quail, L.T.Delbaere. Trifluoperazine-Induced Conformational Change in Ca(2+)-Calmodulin. Nat.Struct.Biol. V. 1 795 1994.
ISSN: ISSN 1072-8368
PubMed: 7634090
DOI: 10.1038/NSB1194-795