Fluorine in PDB 5u1y: Crystal Structure of the Atp-Gated P2X7 Ion Channel Bound to Allosteric Antagonist GW791343

The structure of Crystal Structure of the Atp-Gated P2X7 Ion Channel Bound to Allosteric Antagonist GW791343, PDB code: 5u1y was solved by A.Karasawa, T.Kawate, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.99 / 3.30
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	169.704, 169.704, 169.704, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 27.1

The binding sites of Fluorine atom in the Crystal Structure of the Atp-Gated P2X7 Ion Channel Bound to Allosteric Antagonist GW791343 (pdb code 5u1y). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Atp-Gated P2X7 Ion Channel Bound to Allosteric Antagonist GW791343, PDB code: 5u1y:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the Atp-Gated P2X7 Ion Channel Bound to Allosteric Antagonist GW791343


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Atp-Gated P2X7 Ion Channel Bound to Allosteric Antagonist GW791343 within 5.0Å range: probe atom residue distance (Å) B Occ A:F404 b:0.6 occ:1.00 F26 A:7RS404 0.0 0.6 1.0 C23 A:7RS404 1.3 0.2 1.0 C22 A:7RS404 2.4 0.6 1.0 C24 A:7RS404 2.4 0.3 1.0 F27 A:7RS404 2.7 0.7 1.0 C21 A:7RS404 3.6 75.1 1.0 C25 A:7RS404 3.7 1.0 1.0 C20 A:7RS404 4.1 0.3 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Atp-Gated P2X7 Ion Channel Bound to Allosteric Antagonist GW791343


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Atp-Gated P2X7 Ion Channel Bound to Allosteric Antagonist GW791343 within 5.0Å range: probe atom residue distance (Å) B Occ A:F404 b:0.7 occ:1.00 F27 A:7RS404 0.0 0.7 1.0 C22 A:7RS404 1.4 0.6 1.0 C21 A:7RS404 2.4 75.1 1.0 C23 A:7RS404 2.4 0.2 1.0 F26 A:7RS404 2.7 0.6 1.0 C24 A:7RS404 3.7 0.3 1.0 C20 A:7RS404 3.7 0.3 1.0 C25 A:7RS404 4.2 1.0 1.0 N19 A:7RS404 4.9 90.1 1.0

A.Karasawa, T.Kawate. Structural Basis For Subtype-Specific Inhibition of the P2X7 Receptor. Elife V. 5 2016.
ISSN: ESSN 2050-084X
PubMed: 27935479
DOI: 10.7554/ELIFE.22153