Fluorine in PDB 5kcj: Structure of the Human GLUN1/GLUN2A Lbd in Complex with GNE6901

The structure of Structure of the Human GLUN1/GLUN2A Lbd in Complex with GNE6901, PDB code: 5kcj was solved by H.J.A.Wallweber, P.J.Lupardus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.09 / 2.09
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.410, 89.730, 124.700, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22.5

The binding sites of Fluorine atom in the Structure of the Human GLUN1/GLUN2A Lbd in Complex with GNE6901 (pdb code 5kcj). 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 Structure of the Human GLUN1/GLUN2A Lbd in Complex with GNE6901, PDB code: 5kcj:

Fluorine binding site 1 out of 1 in the Structure of the Human GLUN1/GLUN2A Lbd in Complex with GNE6901


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Human GLUN1/GLUN2A Lbd in Complex with GNE6901 within 5.0Å range: probe atom residue distance (Å) B Occ B:F302 b:32.7 occ:1.00 F B:6RM302 0.0 32.7 1.0 C11 B:6RM302 1.3 33.2 1.0 C12 B:6RM302 2.3 33.5 1.0 C10 B:6RM302 2.3 29.6 1.0 CD2 B:LEU270 3.2 27.5 1.0 OG1 A:THR242 3.5 24.4 1.0 CG2 A:ILE116 3.5 24.3 1.0 C13 B:6RM302 3.6 29.8 1.0 C9 B:6RM302 3.6 27.8 1.0 CD B:LYS140 3.6 29.8 1.0 O A:HOH486 3.7 25.4 1.0 CB B:LYS140 3.8 25.9 1.0 CG B:LYS140 3.9 27.9 1.0 CB A:ILE116 4.0 23.1 1.0 C8 B:6RM302 4.1 28.6 1.0 CD1 A:ILE116 4.2 23.2 1.0 CD B:PRO141 4.3 23.9 1.0 CA A:THR242 4.4 21.6 1.0 CB A:THR242 4.4 23.7 1.0 N A:GLY243 4.5 22.2 1.0 CE B:LYS140 4.6 32.9 1.0 CG B:LEU270 4.6 25.8 1.0 CG1 A:ILE116 4.7 22.5 1.0 C A:THR242 4.7 23.6 1.0 CA B:LYS140 4.8 23.8 1.0 N B:PRO141 4.9 23.3 1.0 O A:ILE116 4.9 25.7 1.0

D.H.Hackos, P.J.Lupardus, T.Grand, Y.Chen, T.M.Wang, P.Reynen, A.Gustafson, H.J.Wallweber, M.Volgraf, B.D.Sellers, J.B.Schwarz, P.Paoletti, M.Sheng, Q.Zhou, J.E.Hanson. Positive Allosteric Modulators of GLUN2A-Containing Nmdars with Distinct Modes of Action and Impacts on Circuit Function. Neuron V. 89 983 2016.
ISSN: ISSN 1097-4199
PubMed: 26875626
DOI: 10.1016/J.NEURON.2016.01.016