Fluorine in PDB 5cmk: Crystal Structure of the GLUK2EM Lbd Dimer Assembly Complex with Glutamate and LY466195

The structure of Crystal Structure of the GLUK2EM Lbd Dimer Assembly Complex with Glutamate and LY466195, PDB code: 5cmk was solved by S.Chittori, M.L.Mayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.86 / 1.80
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.759, 102.759, 281.992, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 18.7

The structure of Crystal Structure of the GLUK2EM Lbd Dimer Assembly Complex with Glutamate and LY466195 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of the GLUK2EM Lbd Dimer Assembly Complex with Glutamate and LY466195 (pdb code 5cmk). 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 GLUK2EM Lbd Dimer Assembly Complex with Glutamate and LY466195, PDB code: 5cmk:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the GLUK2EM Lbd Dimer Assembly Complex with Glutamate and LY466195


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 GLUK2EM Lbd Dimer Assembly Complex with Glutamate and LY466195 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:35.3 occ:1.00 F2 B:LY5301 0.0 35.3 1.0 C15 B:LY5301 1.3 35.6 1.0 F1 B:LY5301 2.0 41.4 1.0 C14 B:LY5301 2.3 33.9 1.0 C16 B:LY5301 2.3 32.9 1.0 H141 B:LY5301 2.3 40.7 1.0 H161 B:LY5301 2.3 39.5 1.0 H162 B:LY5301 2.9 39.5 1.0 H142 B:LY5301 3.0 40.7 1.0 HG11 B:VAL138 3.1 28.4 1.0 C12 B:LY5301 3.1 32.5 1.0 H12 B:LY5301 3.1 39.0 1.0 O B:HOH557 3.2 21.0 1.0 O B:HOH559 3.2 64.1 1.0 O B:HOH633 3.3 41.7 1.0 HG21 B:VAL138 3.3 22.4 1.0 HG B:SER174 3.3 24.3 0.5 OG B:SER174 3.3 20.2 0.5 N2 B:LY5301 3.3 29.1 1.0 HB2 B:SER174 3.4 22.9 0.5 O B:HOH638 3.8 42.8 1.0 O B:HOH453 3.8 42.0 1.0 H B:SER174 3.8 17.1 0.5 HB B:VAL138 3.9 24.7 1.0 CG1 B:VAL138 4.0 23.7 1.0 H B:SER174 4.1 17.1 0.5 CG2 B:VAL138 4.1 18.7 1.0 O B:HOH445 4.2 51.6 1.0 CB B:VAL138 4.2 20.6 1.0 CB B:SER174 4.3 19.1 0.5 H111 B:LY5301 4.3 28.1 1.0 HG12 B:VAL138 4.4 28.4 1.0 C11 B:LY5301 4.4 23.4 1.0 N B:SER174 4.5 14.2 0.5 C13 B:LY5301 4.5 34.0 1.0 CB B:SER174 4.5 18.1 0.5 HB2 B:SER174 4.6 21.7 0.5 HG13 B:VAL138 4.6 28.4 1.0 N B:SER174 4.6 14.2 0.5 HB3 B:SER174 4.7 22.9 0.5 HG23 B:VAL138 4.7 22.4 1.0 HG22 B:VAL138 4.7 22.4 1.0 HA B:SER173 4.7 21.5 1.0 H7 B:LY5301 4.8 14.6 1.0 O B:HOH587 4.8 39.9 1.0 O B:HOH532 4.8 33.7 1.0 CA B:SER174 4.8 16.7 0.5 HA B:SER174 4.9 20.0 0.5

Fluorine binding site 2 out of 2 in the Crystal Structure of the GLUK2EM Lbd Dimer Assembly Complex with Glutamate and LY466195


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 GLUK2EM Lbd Dimer Assembly Complex with Glutamate and LY466195 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:41.4 occ:1.00 F1 B:LY5301 0.0 41.4 1.0 C15 B:LY5301 1.3 35.6 1.0 F2 B:LY5301 2.0 35.3 1.0 C16 B:LY5301 2.4 32.9 1.0 H162 B:LY5301 2.4 39.5 1.0 C14 B:LY5301 2.5 33.9 1.0 H142 B:LY5301 2.5 40.7 1.0 H141 B:LY5301 2.9 40.7 1.0 H161 B:LY5301 3.0 39.5 1.0 O B:HOH587 3.2 39.9 1.0 HG11 B:VAL138 3.3 28.4 1.0 N2 B:LY5301 3.4 29.1 1.0 O B:HOH638 3.4 42.8 1.0 O B:HOH532 3.5 33.7 1.0 C12 B:LY5301 3.6 32.5 1.0 HA3 B:GLY141 4.0 34.6 1.0 O B:HOH690 4.0 32.5 1.0 HA2 B:GLY141 4.1 34.6 1.0 HG12 B:VAL138 4.1 28.4 1.0 CG1 B:VAL138 4.1 23.7 1.0 H12 B:LY5301 4.1 39.0 1.0 O B:HOH557 4.3 21.0 1.0 HB B:VAL138 4.4 24.7 1.0 CA B:GLY141 4.5 28.8 1.0 O B:HOH476 4.5 26.8 1.0 H62 B:LY5301 4.6 12.4 1.0 HG21 B:VAL138 4.7 22.4 1.0 O B:HOH633 4.7 41.7 1.0 C13 B:LY5301 4.7 34.0 1.0 C11 B:LY5301 4.7 23.4 1.0 CB B:VAL138 4.8 20.6 1.0 O4 B:LY5301 4.8 34.0 1.0 HG13 B:VAL138 4.8 28.4 1.0 O B:HOH445 4.8 51.6 1.0 O B:HOH559 4.9 64.1 1.0 H7 B:LY5301 5.0 14.6 1.0

J.R.Meyerson, S.Chittori, A.Merk, P.Rao, T.H.Han, M.Serpe, M.L.Mayer, S.Subramaniam. Structural Basis of Kainate Subtype Glutamate Receptor Desensitization. Nature V. 537 567 2016.
ISSN: ESSN 1476-4687
PubMed: 27580033
DOI: 10.1038/NATURE19352