Fluorine 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:

Bromine	(Br)	5 atoms
Calcium	(Ca)	10 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Fluorine 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 Fluorine atom.
In total 3 binding sites of Fluorine 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 Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 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 Fluorine with other atoms in the F 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:F150 b:0.0 occ:1.00 F1 A:HLT150 0.0 0.0 1.0 C2 A:HLT150 1.4 64.5 1.0 F2 A:HLT150 2.2 0.0 1.0 F3 A:HLT150 2.2 0.0 1.0 C1 A:HLT150 2.4 63.7 1.0 HC1 A:HLT150 2.7 0.0 1.0 HB3 A:GLU127 2.9 0.0 1.0 CL A:HLT150 3.0 0.0 1.0 HA A:MET124 3.2 0.0 1.0 HG2 A:GLU127 3.2 0.0 1.0 HG3 A:MET124 3.3 0.0 1.0 SD A:MET124 3.7 1.6 1.0 CB A:GLU127 3.7 0.2 1.0 CG A:GLU127 3.8 0.3 1.0 CG A:MET124 3.9 0.2 1.0 HG3 A:GLU127 3.9 0.0 1.0 BR A:HLT150 3.9 0.0 1.0 HB2 A:GLU127 4.0 0.0 1.0 HD11 A:LEU105 4.1 0.0 1.0 SD A:MET144 4.1 0.3 1.0 CA A:MET124 4.2 0.1 1.0 HD13 A:LEU105 4.3 0.0 1.0 HG3 A:MET144 4.4 0.0 1.0 CB A:MET124 4.5 0.1 1.0 HG A:LEU105 4.6 0.0 1.0 CD1 A:LEU105 4.7 0.1 1.0 HE3 A:MET124 4.7 0.0 1.0 HB3 A:MET124 4.8 0.0 1.0 CG A:MET144 4.8 0.3 1.0 HB1 A:ALA128 4.8 0.0 1.0 HG2 A:MET124 4.8 0.0 1.0 CE A:MET124 4.9 1.8 1.0 N A:MET124 4.9 0.1 1.0 O A:GLU123 4.9 0.2 1.0 O A:MET124 4.9 0.1 1.0 HG2 A:GLU123 4.9 0.0 1.0 HG2 A:MET144 4.9 0.0 1.0

Fluorine binding site 2 out of 3 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 Fluorine with other atoms in the F 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:F150 b:0.0 occ:1.00 F2 A:HLT150 0.0 0.0 1.0 C2 A:HLT150 1.4 64.5 1.0 F3 A:HLT150 2.2 0.0 1.0 F1 A:HLT150 2.2 0.0 1.0 C1 A:HLT150 2.4 63.7 1.0 HC1 A:HLT150 2.6 0.0 1.0 SD A:MET144 2.7 0.3 1.0 HG2 A:GLU127 2.7 0.0 1.0 HG2 A:MET144 2.9 0.0 1.0 HG3 A:GLU127 2.9 0.0 1.0 BR A:HLT150 3.0 0.0 1.0 HG3 A:MET144 3.1 0.0 1.0 CG A:MET144 3.1 0.3 1.0 CG A:GLU127 3.2 0.3 1.0 HB3 A:GLU127 3.5 0.0 1.0 CL A:HLT150 3.9 0.0 1.0 CB A:GLU127 4.0 0.2 1.0 CE A:MET144 4.3 0.8 1.0 HE1 A:MET144 4.4 0.0 1.0 HD11 A:LEU105 4.5 0.0 1.0 CD A:GLU127 4.5 0.8 1.0 CB A:MET144 4.6 0.3 1.0 HB2 A:GLU127 4.6 0.0 1.0 HE2 A:MET144 4.7 0.0 1.0 HB1 A:ALA128 4.9 0.0 1.0 HB3 A:MET144 4.9 0.0 1.0 HA A:MET124 5.0 0.0 1.0 C A:GLU127 5.0 0.1 1.0

Fluorine binding site 3 out of 3 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 Fluorine with other atoms in the F binding site number 3 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:F150 b:0.0 occ:1.00 F3 A:HLT150 0.0 0.0 1.0 C2 A:HLT150 1.4 64.5 1.0 F2 A:HLT150 2.2 0.0 1.0 F1 A:HLT150 2.2 0.0 1.0 C1 A:HLT150 2.4 63.7 1.0 HG2 A:GLU127 2.9 0.0 1.0 BR A:HLT150 3.0 0.0 1.0 CL A:HLT150 3.0 0.0 1.0 HC1 A:HLT150 3.3 0.0 1.0 CG A:GLU127 3.9 0.3 1.0 HG3 A:GLU127 4.2 0.0 1.0 HB3 A:GLU127 4.2 0.0 1.0 CB A:GLU127 4.5 0.2 1.0 HB2 A:GLU127 4.7 0.0 1.0 SD A:MET144 4.8 0.3 1.0 HG2 A:MET144 4.9 0.0 1.0 CD A:GLU127 5.0 0.8 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