Fluorine in PDB 2yoe: X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Gaba and Flurazepam

The structure of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Gaba and Flurazepam, PDB code: 2yoe was solved by R.Spurny, M.Brams, H.Nury, P.Legrand, C.Ulens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.028 / 3.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	105.771, 266.512, 110.982, 90.00, 108.82, 90.00
R / Rfree (%)	18.52 / 22.99

The structure of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Gaba and Flurazepam also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Gaba and Flurazepam (pdb code 2yoe). 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 X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Gaba and Flurazepam, PDB code: 2yoe:

Fluorine binding site 1 out of 1 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Gaba and Flurazepam


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Gaba and Flurazepam within 5.0Å range: probe atom residue distance (Å) B Occ C:F1318 b:0.4 occ:1.00 FAA C:FL71318 0.0 0.4 1.0 CAD C:FL71318 1.3 0.5 1.0 CAC C:FL71318 2.4 0.2 1.0 CAE C:FL71318 2.4 0.6 1.0 N C:FL71318 3.0 0.9 1.0 C13 C:FL71318 3.0 0.4 1.0 CAL C:FL71318 3.7 0.7 1.0 CAJ C:FL71318 3.7 0.4 1.0 CAK C:FL71318 4.2 0.2 1.0 CA C:FL71318 4.3 0.1 1.0 CAV C:FL71318 4.7 0.7 1.0 CAT C:FL71318 4.7 88.2 1.0 C C:FL71318 4.8 1.0 1.0 OH C:TYR102 5.0 93.3 1.0 ND2 B:ASN60 5.0 0.2 1.0

R.Spurny, J.Ramerstorfer, K.Price, M.Brams, M.Ernst, H.Nury, M.Verheij, P.Legrand, D.Bertrand, S.Bertrand, D.A.Dougherty, I.J.P.De Esch, P.Corringer, W.Sieghart, S.C.R.Lummis, C.Ulens. Pentameric Ligand-Gated Ion Channel Elic Is Activated By Gaba and Modulated By Benzodiazepines. Proc.Natl.Acad.Sci.Usa V. 109 E3028 2012.
ISSN: ISSN 0027-8424
PubMed: 23035248
DOI: 10.1073/PNAS.1208208109