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

The structure of Halothane Binds to Druggable Sites in Calcium-Calmodulin: Solution Structure of Halothane-Cam C-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 C-Terminal Domain (pdb code 2kuh). 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 C-Terminal Domain, PDB code: 2kuh:
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 C-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 C-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca992 b:1.0 occ:1.00 HD22 A:ASN97 2.0 1.6 1.0 OD1 A:ASN97 2.5 1.3 1.0 O A:TYR99 2.6 0.2 1.0 OE1 A:GLU104 2.6 0.4 1.0 OD1 A:ASP93 2.6 1.5 1.0 OE2 A:GLU104 2.6 0.8 1.0 ND2 A:ASN97 2.6 0.8 1.0 OD1 A:ASP95 2.8 3.1 1.0 CG A:ASN97 2.9 0.3 1.0 CD A:GLU104 2.9 0.6 1.0 HA A:ILE100 3.4 0.0 1.0 HD21 A:ASN97 3.5 0.7 1.0 CG A:ASP95 3.6 2.0 1.0 OD2 A:ASP95 3.7 2.3 1.0 CG A:ASP93 3.7 0.3 1.0 C A:TYR99 3.8 0.2 1.0 HA A:ASP93 3.8 0.0 1.0 HD13 A:ILE100 3.8 0.0 1.0 H A:SER101 3.9 0.2 1.0 H A:ASN97 4.0 0.1 1.0 H A:ASP95 4.3 0.6 1.0 HB2 A:GLU104 4.3 0.0 1.0 H A:TYR99 4.3 0.2 1.0 OD2 A:ASP93 4.3 1.0 1.0 CB A:ASN97 4.4 0.2 1.0 CA A:ILE100 4.4 0.2 1.0 CG A:GLU104 4.4 0.7 1.0 N A:SER101 4.5 0.2 1.0 N A:ILE100 4.6 0.2 1.0 CA A:ASP93 4.7 0.2 1.0 HB3 A:ASN97 4.7 0.0 1.0 H A:GLY96 4.7 0.1 1.0 CB A:ASP93 4.7 0.3 1.0 HB2 A:TYR99 4.8 0.0 1.0 H A:LYS94 4.8 0.6 1.0 HG3 A:GLU104 4.8 0.0 1.0 CA A:TYR99 4.9 0.2 1.0 CB A:GLU104 4.9 0.1 1.0 N A:ASN97 4.9 0.1 1.0 CD1 A:ILE100 4.9 0.3 1.0 N A:TYR99 4.9 0.1 1.0 C A:ILE100 4.9 0.2 1.0 HB2 A:ASN97 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 C-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 C-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca993 b:1.0 occ:1.00 O A:GLN135 2.5 0.2 1.0 OD1 A:ASP133 2.5 2.0 1.0 OD1 A:ASP129 2.6 1.9 1.0 OD1 A:ASP131 2.6 1.1 1.0 OD2 A:ASP131 2.6 1.1 1.0 OE2 A:GLU140 2.6 2.8 1.0 OE1 A:GLU140 2.6 1.5 1.0 CD A:GLU140 2.7 1.5 1.0 CG A:ASP133 2.8 1.6 1.0 OD2 A:ASP133 2.9 2.5 1.0 CG A:ASP131 2.9 0.4 1.0 HD22 A:ASN137 3.2 2.7 1.0 H A:ASN137 3.3 0.3 1.0 H A:ASP133 3.3 0.6 1.0 HA A:VAL136 3.4 0.0 1.0 C A:GLN135 3.4 0.1 1.0 H A:GLN135 3.5 0.1 1.0 HA A:ASP129 3.6 0.0 1.0 CG A:ASP129 3.7 1.1 1.0 ND2 A:ASN137 3.7 2.5 1.0 H A:GLY132 3.8 0.7 1.0 N A:ASN137 4.0 0.3 1.0 HG3 A:GLU140 4.0 0.0 1.0 CG A:GLU140 4.0 1.0 1.0 CG A:ASN137 4.0 1.4 1.0 CB A:ASP133 4.0 0.9 1.0 HB3 A:ASP133 4.0 0.0 1.0 H A:ASP131 4.0 0.3 1.0 HB2 A:GLN135 4.0 0.0 1.0 CA A:VAL136 4.2 0.2 1.0 N A:ASP133 4.2 0.8 1.0 N A:VAL136 4.2 0.2 1.0 HD21 A:ASN137 4.3 3.0 1.0 OD1 A:ASN137 4.3 1.4 1.0 H A:GLY134 4.3 0.4 1.0 N A:GLN135 4.3 0.1 1.0 CA A:GLN135 4.4 0.1 1.0 CB A:ASP131 4.4 0.3 1.0 HB3 A:ASN137 4.4 0.0 1.0 H A:ILE130 4.4 0.2 1.0 HB2 A:ASP129 4.5 0.0 1.0 CA A:ASP129 4.5 0.2 1.0 C A:VAL136 4.5 0.3 1.0 CB A:ASP129 4.5 0.3 1.0 OD2 A:ASP129 4.6 1.7 1.0 HB2 A:GLU140 4.6 0.0 1.0 N A:GLY132 4.6 0.8 1.0 CA A:ASP133 4.7 0.7 1.0 CB A:ASN137 4.7 0.6 1.0 HG2 A:GLU140 4.7 0.0 1.0 CB A:GLN135 4.7 0.2 1.0 HB3 A:ASP131 4.8 0.0 1.0 CB A:GLU140 4.8 0.4 1.0 HB2 A:ASP133 4.9 0.0 1.0 N A:ASP131 4.9 0.3 1.0 CA A:ASN137 5.0 0.5 1.0 N A:GLY134 5.0 0.3 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