Calcium in PDB 2kug: Halothane Binds to Druggable Sites in Calcium-Calmodulin: Solution Structure of Halothane-Cam N-Terminal Domain

The structure of Halothane Binds to Druggable Sites in Calcium-Calmodulin: Solution Structure of Halothane-Cam N-Terminal Domain also contains other interesting chemical elements:

Fluorine	(F)	15 atoms
Bromine	(Br)	5 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Calcium atom in the Halothane Binds to Druggable Sites in Calcium-Calmodulin: Solution Structure of Halothane-Cam N-Terminal Domain (pdb code 2kug). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Halothane Binds to Druggable Sites in Calcium-Calmodulin: Solution Structure of Halothane-Cam N-Terminal Domain, PDB code: 2kug:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Halothane Binds to Druggable Sites in Calcium-Calmodulin: Solution Structure of Halothane-Cam N-Terminal Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Halothane Binds to Druggable Sites in Calcium-Calmodulin: Solution Structure of Halothane-Cam N-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca990 b:1.0 occ:1.00 O A:THR26 2.4 0.0 1.0 OD2 A:ASP24 2.5 0.0 1.0 OE2 A:GLU31 2.5 0.0 1.0 OE1 A:GLU31 2.5 0.0 1.0 OD2 A:ASP22 2.6 0.0 1.0 CD A:GLU31 2.7 0.0 1.0 OD1 A:ASP20 2.7 0.0 1.0 HG23 A:THR28 2.8 0.0 1.0 OD1 A:ASP24 2.9 0.0 1.0 CG A:ASP24 3.0 0.0 1.0 OD1 A:ASP22 3.2 0.0 1.0 H A:THR28 3.2 0.0 1.0 CG A:ASP22 3.2 0.0 1.0 HA A:ILE27 3.6 0.0 1.0 C A:THR26 3.6 0.0 1.0 CG2 A:THR28 3.9 0.0 1.0 CG A:ASP20 3.9 0.0 1.0 HA A:ASP20 3.9 0.0 1.0 CG A:GLU31 4.0 0.0 1.0 HG3 A:GLU31 4.0 0.0 1.0 N A:THR28 4.1 0.0 1.0 H A:THR26 4.1 0.0 1.0 HG22 A:THR28 4.2 0.0 1.0 H A:ASP24 4.2 0.0 1.0 HG1 A:THR28 4.3 0.0 1.0 HG21 A:THR28 4.3 0.0 1.0 HE3 A:LYS21 4.3 0.0 1.0 CA A:ILE27 4.4 0.0 1.0 H A:ASP22 4.4 0.0 1.0 CB A:ASP24 4.5 0.0 1.0 N A:ILE27 4.5 0.0 1.0 OG1 A:THR26 4.5 0.0 1.0 OD2 A:ASP20 4.6 0.0 1.0 HG2 A:GLU31 4.6 0.0 1.0 HB3 A:ASP24 4.6 0.0 1.0 CA A:THR26 4.7 0.0 1.0 C A:ILE27 4.7 0.0 1.0 CB A:ASP22 4.7 0.0 1.0 HD2 A:LYS21 4.8 0.0 1.0 HG1 A:THR26 4.8 0.0 1.0 HB2 A:GLU31 4.8 0.0 1.0 CB A:THR28 4.8 0.0 1.0 N A:THR26 4.8 0.0 1.0 CA A:ASP20 4.8 0.0 1.0 CB A:ASP20 4.9 0.0 1.0 HB A:THR26 4.9 0.0 1.0 HZ1 A:LYS21 4.9 0.0 1.0 CB A:GLU31 4.9 0.0 1.0 H A:GLY23 5.0 0.0 1.0 CB A:THR26 5.0 0.0 1.0

Calcium binding site 2 out of 2 in the Halothane Binds to Druggable Sites in Calcium-Calmodulin: Solution Structure of Halothane-Cam N-Terminal Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Halothane Binds to Druggable Sites in Calcium-Calmodulin: Solution Structure of Halothane-Cam N-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca991 b:1.0 occ:1.00 HD22 A:ASN60 2.3 0.0 1.0 O A:THR62 2.5 0.0 1.0 OD1 A:ASP58 2.5 0.0 1.0 OE1 A:GLU67 2.6 0.0 1.0 OD2 A:ASP58 2.6 0.0 1.0 OE2 A:GLU67 2.6 0.0 1.0 OD1 A:ASP56 2.6 0.0 1.0 OD1 A:ASN60 2.6 0.0 1.0 CG A:ASP58 2.9 0.0 1.0 CD A:GLU67 2.9 0.0 1.0 ND2 A:ASN60 3.1 0.0 1.0 CG A:ASN60 3.1 0.0 1.0 HA A:ILE63 3.4 0.0 1.0 C A:THR62 3.4 0.0 1.0 H A:THR62 3.4 0.0 1.0 CG A:ASP56 3.7 0.0 1.0 H A:ASP58 3.8 0.0 1.0 HD21 A:ASN60 3.9 0.0 1.0 HD13 A:ILE63 3.9 0.0 1.0 OG1 A:THR62 3.9 0.0 1.0 HG1 A:THR62 4.0 0.0 1.0 H A:ASP64 4.0 0.0 1.0 H A:ASN60 4.0 0.0 1.0 H A:ALA57 4.1 0.0 1.0 N A:THR62 4.2 0.0 1.0 OD2 A:ASP56 4.2 0.0 1.0 CA A:THR62 4.2 0.0 1.0 CA A:ILE63 4.2 0.0 1.0 H A:GLY61 4.3 0.0 1.0 N A:ILE63 4.3 0.0 1.0 CB A:ASP58 4.3 0.0 1.0 HA A:ASP56 4.4 0.0 1.0 CG A:GLU67 4.4 0.0 1.0 CB A:ASN60 4.5 0.0 1.0 CB A:THR62 4.5 0.0 1.0 HB A:THR62 4.5 0.0 1.0 HB3 A:ASP58 4.6 0.0 1.0 H A:GLY59 4.6 0.0 1.0 HB3 A:ASN60 4.7 0.0 1.0 N A:ASP64 4.7 0.0 1.0 N A:ASP58 4.7 0.0 1.0 HG3 A:GLU67 4.8 0.0 1.0 C A:ILE63 4.8 0.0 1.0 HB3 A:ASP64 4.8 0.0 1.0 N A:ASN60 4.9 0.0 1.0 HG2 A:GLU67 4.9 0.0 1.0 CB A:ASP56 5.0 0.0 1.0 N A:ALA57 5.0 0.0 1.0 HB2 A:ASP58 5.0 0.0 1.0

N.O.Juranic, K.A.Jones, A.R.Penheiter, T.J.Hock, J.H.Streiff. Halothane Binds to Druggable Sites in the [CA2+]4-Calmodulin (Cam) Complex, But Does Not Inhibit [CA2+]4-Cam Activation of Kinase. J. Serb. Chem. Soc. V. 78 1655 2013.
ISSN: ISSN 0352-5139