Fluorine in PDB 1xz1: Complex of Halothane with Apoferritin

The structure of Complex of Halothane with Apoferritin, PDB code: 1xz1 was solved by R.Liu, P.J.Loll, R.G.Eckenhoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.75
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.610, 181.610, 181.610, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.2

The structure of Complex of Halothane with Apoferritin also contains other interesting chemical elements:

Cadmium	(Cd)	6 atoms
Bromine	(Br)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Complex of Halothane with Apoferritin (pdb code 1xz1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Complex of Halothane with Apoferritin, PDB code: 1xz1:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Complex of Halothane with Apoferritin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex of Halothane with Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:50.8 occ:0.50 F1 A:HLT2001 0.0 50.8 0.5 C2 A:HLT2001 1.3 49.5 0.5 F2 A:HLT2001 2.1 50.8 0.5 F3 A:HLT2001 2.2 49.7 0.5 C1 A:HLT2001 2.3 48.6 0.5 CL A:HLT2001 3.2 45.7 0.5 BR A:HLT2001 4.1 48.6 0.5

Fluorine binding site 2 out of 3 in the Complex of Halothane with Apoferritin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Complex of Halothane with Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:50.8 occ:0.50 F2 A:HLT2001 0.0 50.8 0.5 C2 A:HLT2001 1.3 49.5 0.5 F1 A:HLT2001 2.1 50.8 0.5 F3 A:HLT2001 2.2 49.7 0.5 C1 A:HLT2001 2.3 48.6 0.5 BR A:HLT2001 3.0 48.6 0.5 CL A:HLT2001 3.9 45.7 0.5 CD2 A:LEU24 4.6 18.4 1.0 CD A:ARG59 4.6 21.6 0.4 CG A:ARG59 4.8 19.6 0.4 CD A:ARG59 4.8 25.8 0.6

Fluorine binding site 3 out of 3 in the Complex of Halothane with Apoferritin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Complex of Halothane with Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:49.7 occ:0.50 F3 A:HLT2001 0.0 49.7 0.5 C2 A:HLT2001 1.3 49.5 0.5 F1 A:HLT2001 2.2 50.8 0.5 F2 A:HLT2001 2.2 50.8 0.5 C1 A:HLT2001 2.3 48.6 0.5 CL A:HLT2001 2.8 45.7 0.5 BR A:HLT2001 3.1 48.6 0.5 CD1 A:LEU81 3.9 25.3 1.0

R.Liu, P.J.Loll, R.G.Eckenhoff. Structural Basis For High-Affinity Volatile Anesthetic Binding in A Natural 4-Helix Bundle Protein. Faseb J. V. 19 567 2005.
ISSN: ISSN 0892-6638
PubMed: 15791007
DOI: 10.1096/FJ.04-3171COM