Fluorine in PDB 5i56: Agonist-Bound GLUN1/GLUN2A Agonist Binding Domains with TCN201

The structure of Agonist-Bound GLUN1/GLUN2A Agonist Binding Domains with TCN201, PDB code: 5i56 was solved by T.-C.Mou, 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)	20.03 / 2.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.259, 88.402, 126.146, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.9

The structure of Agonist-Bound GLUN1/GLUN2A Agonist Binding Domains with TCN201 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Agonist-Bound GLUN1/GLUN2A Agonist Binding Domains with TCN201 (pdb code 5i56). 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 Agonist-Bound GLUN1/GLUN2A Agonist Binding Domains with TCN201, PDB code: 5i56:

Fluorine binding site 1 out of 1 in the Agonist-Bound GLUN1/GLUN2A Agonist Binding Domains with TCN201


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Agonist-Bound GLUN1/GLUN2A Agonist Binding Domains with TCN201 within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:52.4 occ:1.00 F31 B:67P802 0.0 52.4 1.0 C27 B:67P802 1.3 55.2 1.0 C28 B:67P802 2.4 48.0 1.0 C26 B:67P802 2.4 44.5 1.0 OE2 B:GLU133 2.9 45.0 1.0 CB B:GLU133 3.0 31.4 1.0 CL B:67P802 3.0 56.2 1.0 O08 B:67P802 3.3 40.7 1.0 CD A:ARG363 3.6 48.1 1.0 C29 B:67P802 3.6 45.8 1.0 C25 B:67P802 3.6 44.8 1.0 CD B:GLU133 3.7 61.8 1.0 CA B:GLU133 3.7 31.9 1.0 CG B:GLU133 3.8 42.4 1.0 CD2 A:TYR143 3.8 29.8 1.0 N B:GLU133 3.9 33.1 1.0 C24 B:67P802 4.1 42.6 1.0 CB A:ARG363 4.1 40.7 1.0 CE2 A:TYR143 4.4 24.7 1.0 C11 B:67P802 4.4 49.2 1.0 N10 B:67P802 4.4 61.1 1.0 C13 B:67P802 4.4 51.5 1.0 CG A:ARG363 4.5 42.1 1.0 C07 B:67P802 4.5 57.5 1.0 C14 B:67P802 4.5 49.5 1.0 NE A:ARG363 4.6 45.3 1.0 OE1 B:GLU133 4.8 59.0 1.0 O A:HOH1146 4.9 38.1 1.0 O12 B:67P802 4.9 53.2 1.0 CG A:TYR143 4.9 22.6 1.0 C B:VAL132 4.9 29.7 1.0 N09 B:67P802 5.0 49.5 1.0 C18 B:67P802 5.0 51.2 1.0

F.Yi, T.C.Mou, K.N.Dorsett, R.A.Volkmann, F.S.Menniti, S.R.Sprang, K.B.Hansen. Structural Basis For Negative Allosteric Modulation of GLUN2A-Containing Nmda Receptors. Neuron V. 91 1316 2016.
ISSN: ISSN 0896-6273
PubMed: 27618671
DOI: 10.1016/J.NEURON.2016.08.014