Fluorine 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:

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 N-Terminal Domain (pdb code 2kug). 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 N-Terminal Domain, PDB code: 2kug:
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 N-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 N-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F149 b:0.0 occ:1.00 F1 A:HLT149 0.0 0.0 1.0 C2 A:HLT149 1.4 64.5 1.0 F3 A:HLT149 2.2 0.0 1.0 F2 A:HLT149 2.2 0.0 1.0 C1 A:HLT149 2.4 63.7 1.0 HC1 A:HLT149 2.7 0.0 1.0 HE2 A:MET71 2.7 0.0 1.0 HG3 A:LYS75 2.7 0.0 1.0 BR A:HLT149 3.0 0.0 1.0 HE3 A:MET71 3.3 0.0 1.0 CE A:MET71 3.4 2.6 1.0 HB2 A:LYS75 3.5 0.0 1.0 HE2 A:MET36 3.7 0.0 1.0 CG A:LYS75 3.7 0.0 1.0 HD2 A:LYS75 3.8 0.0 1.0 CL A:HLT149 3.9 0.0 1.0 HE2 A:MET72 4.0 0.0 1.0 HE1 A:MET71 4.1 0.0 1.0 CB A:LYS75 4.2 0.0 1.0 CD A:LYS75 4.4 0.0 1.0 HG2 A:LYS75 4.5 0.0 1.0 CE A:MET36 4.5 0.0 1.0 HD23 A:LEU39 4.6 0.0 1.0 SD A:MET36 4.6 0.0 1.0 SD A:MET71 4.7 1.9 1.0 HA A:LYS75 4.7 0.0 1.0 HE3 A:MET36 4.8 0.0 1.0 HE3 A:MET72 4.9 0.0 1.0 CE A:MET72 4.9 0.0 1.0 HB3 A:LYS75 5.0 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 N-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 N-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F149 b:0.0 occ:1.00 F2 A:HLT149 0.0 0.0 1.0 C2 A:HLT149 1.4 64.5 1.0 HE2 A:MET36 1.8 0.0 1.0 F3 A:HLT149 2.2 0.0 1.0 F1 A:HLT149 2.2 0.0 1.0 C1 A:HLT149 2.4 63.7 1.0 CE A:MET36 2.5 0.0 1.0 SD A:MET36 2.5 0.0 1.0 BR A:HLT149 3.0 0.0 1.0 CL A:HLT149 3.0 0.0 1.0 HE3 A:MET36 3.1 0.0 1.0 HC1 A:HLT149 3.3 0.0 1.0 HD23 A:LEU39 3.3 0.0 1.0 HE1 A:MET36 3.3 0.0 1.0 HD21 A:LEU39 3.5 0.0 1.0 CD2 A:LEU39 3.8 0.0 1.0 HE2 A:MET71 3.9 0.0 1.0 HD22 A:LEU39 4.2 0.0 1.0 HA A:MET36 4.3 0.0 1.0 CG A:MET36 4.3 0.0 1.0 HE3 A:MET71 4.4 0.0 1.0 HE2 A:MET72 4.5 0.0 1.0 HG2 A:MET36 4.6 0.0 1.0 CE A:MET71 4.6 2.6 1.0 HG3 A:MET36 4.7 0.0 1.0 HG3 A:LYS75 4.7 0.0 1.0 HB2 A:LEU39 4.8 0.0 1.0

Fluorine binding site 3 out of 3 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 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 N-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F149 b:0.0 occ:1.00 F3 A:HLT149 0.0 0.0 1.0 C2 A:HLT149 1.4 64.5 1.0 F1 A:HLT149 2.2 0.0 1.0 F2 A:HLT149 2.2 0.0 1.0 C1 A:HLT149 2.4 63.7 1.0 HC1 A:HLT149 2.7 0.0 1.0 CL A:HLT149 3.0 0.0 1.0 SD A:MET36 3.5 0.0 1.0 BR A:HLT149 3.9 0.0 1.0 HE2 A:MET36 4.0 0.0 1.0 CE A:MET36 4.4 0.0 1.0 HG3 A:LYS75 4.5 0.0 1.0 HG3 A:GLN41 4.5 0.0 1.0 HE2 A:MET71 4.7 0.0 1.0 HE3 A:MET71 4.7 0.0 1.0 HE3 A:MET36 4.8 0.0 1.0 HD23 A:LEU39 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