Fluorine in PDB 8i0b: The Crystal Structure of Human Glutamate Receptor 2 in Complex with Lt-102

The structure of The Crystal Structure of Human Glutamate Receptor 2 in Complex with Lt-102, PDB code: 8i0b was solved by X.Y.Qi, C.Y.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.49 / 1.73
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	121.4, 47.104, 98.413, 90, 90, 90
R / Rfree (%)	22.1 / 27.8

The structure of The Crystal Structure of Human Glutamate Receptor 2 in Complex with Lt-102 also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the The Crystal Structure of Human Glutamate Receptor 2 in Complex with Lt-102 (pdb code 8i0b). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Crystal Structure of Human Glutamate Receptor 2 in Complex with Lt-102, PDB code: 8i0b:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The Crystal Structure of Human Glutamate Receptor 2 in Complex with Lt-102


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of Human Glutamate Receptor 2 in Complex with Lt-102 within 5.0Å range: probe atom residue distance (Å) B Occ B:F403 b:24.7 occ:0.50 F07 B:NXO403 0.0 24.7 0.5 O20 B:NXO403 0.5 26.5 0.5 C19 B:NXO403 1.2 22.3 0.5 C04 B:NXO403 1.4 22.7 0.5 S21 B:NXO403 1.8 22.1 0.5 C14 B:NXO403 2.2 16.4 0.5 C18 B:NXO403 2.3 23.0 0.5 C05 B:NXO403 2.3 23.1 0.5 C03 B:NXO403 2.4 16.3 0.5 O23 B:NXO403 2.4 22.2 0.5 H8 B:NXO403 2.5 25.1 0.5 H5 B:NXO403 2.5 27.8 0.5 H2 B:NXO403 2.6 25.1 0.5 HG2 A:PRO105 2.6 31.9 1.0 C11 B:NXO403 2.7 18.0 0.5 C10 B:NXO403 2.8 20.9 0.5 C08 B:NXO403 2.8 17.9 0.5 O22 B:NXO403 2.8 16.3 0.5 N24 B:NXO403 2.8 18.8 0.5 C13 B:NXO403 2.9 20.9 0.5 C25 B:NXO403 2.9 26.7 0.5 HA B:LYS218 3.1 33.4 1.0 H13 B:NXO403 3.4 32.1 0.5 C15 B:NXO403 3.5 23.4 0.5 HG3 B:PRO105 3.5 24.0 1.0 C17 B:NXO403 3.5 25.5 0.5 C06 B:NXO403 3.6 25.7 0.5 CG A:PRO105 3.6 26.5 1.0 C02 B:NXO403 3.6 23.3 0.5 H14 B:NXO403 3.8 22.6 0.5 C12 B:NXO403 3.8 19.2 0.5 O A:PRO105 3.8 21.5 1.0 H12 B:NXO403 3.9 32.1 0.5 HA3 B:GLY219 3.9 32.4 1.0 C B:LYS218 3.9 21.3 1.0 C09 B:NXO403 3.9 19.2 0.5 N B:GLY219 3.9 15.9 1.0 CA B:LYS218 3.9 27.8 1.0 HB2 A:PRO105 3.9 27.1 1.0 C16 B:NXO403 4.0 23.6 0.5 HD2 A:PRO105 4.0 23.6 1.0 C09 B:NXO403 4.0 21.1 0.5 H B:GLY219 4.0 19.1 1.0 C12 B:NXO403 4.0 21.1 0.5 C01 B:NXO403 4.1 23.4 0.5 HG3 A:PRO105 4.1 31.9 1.0 O B:HOH501 4.1 30.1 1.0 H1 B:NXO403 4.2 23.1 0.5 CB A:PRO105 4.3 22.5 1.0 CD A:PRO105 4.3 19.6 1.0 H7 B:NXO403 4.3 23.0 0.5 H9 B:NXO403 4.3 28.1 0.5 O B:LYS218 4.4 17.1 1.0 CA B:GLY219 4.4 26.9 1.0 H11 B:NXO403 4.4 30.7 0.5 CG B:PRO105 4.5 19.9 1.0 H6 B:NXO403 4.5 30.9 0.5 H7 B:NXO403 4.5 25.4 0.5 H1 B:NXO403 4.5 25.4 0.5 H4 B:NXO403 4.5 28.0 0.5 C A:PRO105 4.6 22.0 1.0 C13 B:NXO403 4.7 21.1 0.5 HB2 B:LYS218 4.7 33.8 1.0 N A:PRO105 4.7 22.7 1.0 HB3 A:LYS104 4.8 17.1 1.0 HB3 B:PRO105 4.8 24.3 1.0 HG2 B:PRO105 4.8 24.0 1.0 C10 B:NXO403 4.8 21.1 0.5 HD12 B:ILE92 4.8 23.8 1.0 N B:LYS218 4.8 24.7 1.0 CA A:PRO105 4.8 24.7 1.0 C08 B:NXO403 4.8 22.8 0.5 C11 B:NXO403 4.9 22.8 0.5 CB B:LYS218 4.9 28.1 1.0 HA2 B:GLY219 4.9 32.4 1.0 O B:SER217 5.0 22.5 1.0

Fluorine binding site 2 out of 2 in the The Crystal Structure of Human Glutamate Receptor 2 in Complex with Lt-102


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Crystal Structure of Human Glutamate Receptor 2 in Complex with Lt-102 within 5.0Å range: probe atom residue distance (Å) B Occ B:F403 b:26.7 occ:0.50 F07 B:NXO403 0.0 26.7 0.5 O20 B:NXO403 0.6 26.4 0.5 C19 B:NXO403 1.3 24.6 0.5 C04 B:NXO403 1.4 24.2 0.5 S21 B:NXO403 1.8 22.3 0.5 O23 B:NXO403 2.3 28.5 0.5 C14 B:NXO403 2.3 22.8 0.5 C05 B:NXO403 2.3 25.1 0.5 C18 B:NXO403 2.4 24.4 0.5 C03 B:NXO403 2.4 22.8 0.5 H5 B:NXO403 2.5 30.1 0.5 H8 B:NXO403 2.6 25.3 0.5 H2 B:NXO403 2.7 25.3 0.5 C11 B:NXO403 2.8 22.8 0.5 HG2 B:PRO105 2.8 24.0 1.0 O22 B:NXO403 2.8 20.1 0.5 C08 B:NXO403 2.9 22.8 0.5 N24 B:NXO403 2.9 22.8 0.5 HA A:LYS218 2.9 18.8 1.0 C10 B:NXO403 2.9 21.1 0.5 C25 B:NXO403 3.0 23.2 0.5 C13 B:NXO403 3.0 21.1 0.5 H12 B:NXO403 3.4 27.9 0.5 HG3 A:PRO105 3.4 31.9 1.0 C15 B:NXO403 3.5 24.5 0.5 C17 B:NXO403 3.6 21.0 0.5 N A:GLY219 3.6 25.9 1.0 C A:LYS218 3.6 19.0 1.0 C06 B:NXO403 3.6 20.7 0.5 H A:GLY219 3.6 31.1 1.0 C02 B:NXO403 3.7 24.3 0.5 CA A:LYS218 3.7 15.6 1.0 CG B:PRO105 3.8 19.9 1.0 H14 B:NXO403 3.8 27.4 0.5 HA3 A:GLY219 3.8 29.6 1.0 H13 B:NXO403 3.9 27.9 0.5 C12 B:NXO403 3.9 21.1 0.5 HD2 B:PRO105 3.9 21.2 1.0 C09 B:NXO403 4.0 21.1 0.5 C16 B:NXO403 4.0 24.0 0.5 O B:HOH502 4.0 34.5 1.0 O B:PRO105 4.0 20.8 1.0 C01 B:NXO403 4.1 24.3 0.5 C09 B:NXO403 4.1 19.2 0.5 C12 B:NXO403 4.1 19.2 0.5 O A:LYS218 4.2 21.4 1.0 HG3 B:PRO105 4.2 24.0 1.0 CA A:GLY219 4.3 24.6 1.0 HB2 B:PRO105 4.3 24.3 1.0 CD B:PRO105 4.4 17.6 1.0 H1 B:NXO403 4.4 25.4 0.5 CG A:PRO105 4.4 26.5 1.0 H9 B:NXO403 4.4 29.4 0.5 H7 B:NXO403 4.4 25.4 0.5 H11 B:NXO403 4.5 25.3 0.5 HB2 A:LYS218 4.5 31.5 1.0 H6 B:NXO403 4.5 24.9 0.5 H4 B:NXO403 4.6 29.2 0.5 CB B:PRO105 4.6 20.2 1.0 N A:LYS218 4.6 19.9 1.0 HB3 A:PRO105 4.6 27.1 1.0 CB A:LYS218 4.6 26.2 1.0 H7 B:NXO403 4.6 23.0 0.5 H1 B:NXO403 4.6 23.1 0.5 HB3 B:LYS104 4.7 26.1 1.0 HG2 A:PRO105 4.7 31.9 1.0 C B:PRO105 4.8 21.1 1.0 HB3 A:LYS218 4.8 31.5 1.0 HA2 A:GLY219 4.9 29.6 1.0 HD12 A:ILE92 4.9 25.9 1.0 C13 B:NXO403 4.9 20.9 0.5 C10 B:NXO403 4.9 20.9 0.5 N B:PRO105 4.9 18.2 1.0 H A:LYS218 5.0 24.0 1.0 CB A:PRO105 5.0 22.5 1.0

X.Y.Qi, C.Y.Wu. Structure of the Human GLUA2 Lbd in Complex with Lt-102 To Be Published.