Fluorine in PDB 5jei: Crystal Structure of the GLUA2 Lbd in Complex with Fw

The structure of Crystal Structure of the GLUA2 Lbd in Complex with Fw, PDB code: 5jei was solved by C.Eibl, H.Salazar, M.Chebli, A.J.R.Plested, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.37 / 1.23
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.465, 44.425, 47.276, 90.00, 90.00, 90.00
R / Rfree (%)	12.1 / 14.7

The structure of Crystal Structure of the GLUA2 Lbd in Complex with Fw also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of the GLUA2 Lbd in Complex with Fw (pdb code 5jei). 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 Crystal Structure of the GLUA2 Lbd in Complex with Fw, PDB code: 5jei:

Fluorine binding site 1 out of 1 in the Crystal Structure of the GLUA2 Lbd in Complex with Fw


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 GLUA2 Lbd in Complex with Fw within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:7.9 occ:1.00 F5 A:FWD301 0.0 7.9 1.0 C5 A:FWD301 1.4 6.5 1.0 HE2 A:MET196 2.3 9.0 1.0 C6 A:FWD301 2.3 7.3 1.0 C4 A:FWD301 2.4 5.7 1.0 H6 A:FWD301 2.5 8.8 1.0 HG2 A:MET196 2.7 8.1 1.0 O4 A:FWD301 2.8 7.5 1.0 HG1 A:THR174 2.8 13.4 1.0 O A:HOH464 3.1 9.7 1.0 CE A:MET196 3.1 7.5 1.0 OG1 A:THR174 3.2 11.2 1.0 CG A:MET196 3.5 6.7 1.0 SD A:MET196 3.5 6.8 1.0 HB2 A:GLU193 3.6 6.5 1.0 N3 A:FWD301 3.6 6.5 1.0 N1 A:FWD301 3.6 6.6 1.0 HE1 A:MET196 3.6 9.0 1.0 H A:GLU193 3.7 6.5 1.0 HB2 A:MET196 3.8 7.2 1.0 HE3 A:MET196 3.8 9.0 1.0 HD22 A:LEU138 3.8 12.3 1.0 HB2 A:LEU192 3.9 8.8 1.0 OE1 A:GLU193 4.1 6.3 1.0 C2 A:FWD301 4.1 6.0 1.0 CB A:MET196 4.1 6.0 1.0 OE2 A:GLU13 4.1 9.5 1.0 OE1 A:GLU13 4.2 14.1 1.0 HG3 A:GLU193 4.2 7.3 1.0 HG3 A:MET196 4.2 8.1 1.0 CD A:GLU13 4.3 9.0 1.0 H3 A:FWD301 4.3 7.8 1.0 HG21 A:THR174 4.4 13.8 1.0 HB3 A:MET196 4.4 7.2 1.0 CB A:GLU193 4.4 5.4 1.0 HG23 A:THR174 4.4 13.8 1.0 HH A:TYR61 4.4 10.7 1.0 HD12 A:LEU192 4.4 9.3 1.0 CB A:THR174 4.5 10.5 1.0 N A:GLU193 4.5 5.4 1.0 CG A:GLU193 4.6 6.1 1.0 CD A:GLU193 4.6 6.0 1.0 CG2 A:THR174 4.6 11.5 1.0 H71 A:FWD301 4.8 8.3 1.0 OH A:TYR61 4.8 8.9 1.0 CD2 A:LEU138 4.8 10.2 1.0 C7 A:FWD301 4.8 6.9 1.0 CB A:LEU192 4.8 7.3 1.0 HH A:TYR220 4.9 8.0 1.0 HB2 A:LEU138 4.9 10.6 1.0 HG2 A:GLU13 4.9 9.8 1.0 HD23 A:LEU138 5.0 12.3 1.0

H.Salazar, C.Eibl, M.Chebli, A.Plested. Mechanism of Partial Agonism in Ampa-Type Glutamate Receptors. Nat Commun V. 8 14327 2017.
ISSN: ESSN 2041-1723
PubMed: 28211453
DOI: 10.1038/NCOMMS14327