Fluorine in PDB 3rt6: Fluorowillardiine Bound to the Ligand Binding Domain of GLUA3

The structure of Fluorowillardiine Bound to the Ligand Binding Domain of GLUA3, PDB code: 3rt6 was solved by A.H.Ahmed, R.E.Oswald, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.30 / 2.84
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	48.087, 47.392, 137.216, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.5

The structure of Fluorowillardiine Bound to the Ligand Binding Domain of GLUA3 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Fluorowillardiine Bound to the Ligand Binding Domain of GLUA3 (pdb code 3rt6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Fluorowillardiine Bound to the Ligand Binding Domain of GLUA3, PDB code: 3rt6:

Fluorine binding site 1 out of 1 in the Fluorowillardiine Bound to the Ligand Binding Domain of GLUA3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fluorowillardiine Bound to the Ligand Binding Domain of GLUA3 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:36.6 occ:1.00 F5 B:FWD401 0.0 36.6 1.0 C5 B:FWD401 1.4 35.4 1.0 C6 B:FWD401 2.4 33.6 1.0 C4 B:FWD401 2.4 34.4 1.0 O4 B:FWD401 2.8 35.9 1.0 CE B:MET196 2.9 35.6 1.0 SD B:MET196 3.5 42.6 1.0 CG B:MET196 3.6 35.5 1.0 N3 B:FWD401 3.6 33.9 1.0 N1 B:FWD401 3.6 33.1 1.0 OE1 B:GLU193 3.6 33.3 1.0 OG1 B:THR174 3.8 39.9 1.0 C2 B:FWD401 4.1 33.8 1.0 CB B:MET196 4.2 34.8 1.0 CB B:GLU193 4.3 32.1 1.0 N B:GLU193 4.3 32.6 1.0 CD B:GLU193 4.5 33.3 1.0 OE1 B:GLU13 4.6 37.5 1.0 CG B:GLU193 4.7 33.5 1.0 CB B:LEU192 4.8 32.8 1.0 OH B:TYR61 4.8 35.4 1.0 CD B:GLU13 4.8 37.2 1.0 C7 B:FWD401 4.8 32.1 1.0 CA B:GLU193 4.9 31.8 1.0 CG2 B:THR174 5.0 42.2 1.0 OE2 B:GLU13 5.0 38.4 1.0

K.Poon, A.H.Ahmed, L.M.Nowak, R.E.Oswald. Mechanisms of Modal Activation of GLUA3 Receptors. Mol.Pharmacol. V. 80 49 2011.
ISSN: ISSN 0026-895X
PubMed: 21464198
DOI: 10.1124/MOL.111.071688