Fluorine in PDB 5vii: Crystal Structure of GLUN1/GLUN2A Nmda Receptor Agonist Binding Domains with Glycine and Antagonist, 4-(3-Fluoropropyl)Phenyl-Acepc

The structure of Crystal Structure of GLUN1/GLUN2A Nmda Receptor Agonist Binding Domains with Glycine and Antagonist, 4-(3-Fluoropropyl)Phenyl-Acepc, PDB code: 5vii was solved by T.-C.Mou, P.Conti, A.Pinto, L.Tamborini, S.R.Sprang, K.B.Hansen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.01 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.582, 87.362, 122.596, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.9

The binding sites of Fluorine atom in the Crystal Structure of GLUN1/GLUN2A Nmda Receptor Agonist Binding Domains with Glycine and Antagonist, 4-(3-Fluoropropyl)Phenyl-Acepc (pdb code 5vii). 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 GLUN1/GLUN2A Nmda Receptor Agonist Binding Domains with Glycine and Antagonist, 4-(3-Fluoropropyl)Phenyl-Acepc, PDB code: 5vii:

Fluorine binding site 1 out of 1 in the Crystal Structure of GLUN1/GLUN2A Nmda Receptor Agonist Binding Domains with Glycine and Antagonist, 4-(3-Fluoropropyl)Phenyl-Acepc


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 GLUN1/GLUN2A Nmda Receptor Agonist Binding Domains with Glycine and Antagonist, 4-(3-Fluoropropyl)Phenyl-Acepc within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:21.2 occ:1.00 F16 B:5DY301 0.0 21.2 1.0 C15 B:5DY301 1.4 22.1 1.0 C14 B:5DY301 2.4 13.6 1.0 C13 B:5DY301 2.8 15.3 1.0 C12 B:5DY301 3.4 13.9 1.0 O B:ILE117 3.5 18.1 1.0 O A:HOH1163 3.5 21.2 1.0 CG2 B:THR116 3.6 16.5 1.0 CG2 B:THR243 3.6 17.3 1.0 CB B:ASN118 3.6 16.1 1.0 OE2 A:GLU273 3.8 18.9 1.0 C11 B:5DY301 4.0 13.8 1.0 CD A:GLU273 4.1 19.2 1.0 CG A:GLU273 4.1 17.6 1.0 O B:HOH461 4.1 22.0 1.0 C17 B:5DY301 4.2 18.0 1.0 CA B:ASN118 4.2 18.2 1.0 C B:ILE117 4.4 16.0 1.0 O B:HOH486 4.5 23.2 1.0 CB B:THR243 4.5 18.6 1.0 N B:ASN118 4.7 16.3 1.0 O B:ALA241 4.8 13.9 1.0 OE1 A:GLU273 4.8 26.1 1.0 OG1 B:THR243 4.8 12.3 1.0 CG B:ASN118 4.9 19.2 1.0 CB B:THR116 4.9 15.8 1.0 ND2 B:ASN118 5.0 17.8 1.0

G.E.Lind, T.C.Mou, L.Tamborini, M.G.Pomper, C.De Micheli, P.Conti, A.Pinto, K.B.Hansen. Structural Basis of Subunit Selectivity For Competitive Nmda Receptor Antagonists with Preference For GLUN2A Over GLUN2B Subunits. Proc. Natl. Acad. Sci. V. 114 E6942 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28760974
DOI: 10.1073/PNAS.1707752114