Fluorine in PDB 8wfk: Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation

The structure of Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Fluorine atom in the Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation (pdb code 8wfk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation, PDB code: 8wfk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:76.5 occ:1.00 F24 A:W5O701 0.0 76.5 1.0 C23 A:W5O701 1.4 68.9 1.0 F25 A:W5O701 2.2 76.5 1.0 F26 A:W5O701 2.2 68.9 1.0 C19 A:W5O701 2.4 66.9 1.0 C20 A:W5O701 2.7 67.1 1.0 CD2 A:LEU471 3.4 57.0 1.0 C18 A:W5O701 3.6 75.1 1.0 CG A:PRO383 3.8 62.0 1.0 C21 A:W5O701 4.1 76.9 1.0 CG A:LEU471 4.3 58.4 1.0 CL27 A:W5O701 4.4 97.0 1.0 CD A:PRO383 4.5 63.1 1.0 CB A:LEU470 4.7 63.5 1.0 O A:LEU470 4.7 65.9 1.0 C17 A:W5O701 4.7 72.4 1.0 CD1 A:LEU470 4.8 62.2 1.0 C A:LEU470 4.9 60.9 1.0 CD2 A:LEU470 4.9 64.4 1.0 C22 A:W5O701 4.9 75.5 1.0

Fluorine binding site 2 out of 3 in the Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:76.5 occ:1.00 F25 A:W5O701 0.0 76.5 1.0 C23 A:W5O701 1.4 68.9 1.0 F26 A:W5O701 2.2 68.9 1.0 F24 A:W5O701 2.2 76.5 1.0 C19 A:W5O701 2.4 66.9 1.0 CL27 A:W5O701 2.7 97.0 1.0 C18 A:W5O701 2.9 75.1 1.0 CG2 A:VAL145 3.5 55.1 1.0 C20 A:W5O701 3.5 67.1 1.0 C17 A:W5O701 4.2 72.4 1.0 CG1 A:VAL145 4.2 52.4 1.0 CB A:VAL145 4.5 48.7 1.0 CH2 A:TRP70 4.6 61.6 1.0 C21 A:W5O701 4.6 76.9 1.0 CZ2 A:TRP70 4.7 64.6 1.0 CD2 A:LEU470 4.8 64.4 1.0 CE1 A:TYR141 4.8 71.6 1.0 CG A:PRO383 4.8 62.0 1.0 C22 A:W5O701 4.9 75.5 1.0 CD1 A:TYR141 5.0 68.8 1.0

Fluorine binding site 3 out of 3 in the Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Glycine Transporter 1 in Complex with SSR504734 in Outward Facing Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:68.9 occ:1.00 F26 A:W5O701 0.0 68.9 1.0 C23 A:W5O701 1.4 68.9 1.0 F25 A:W5O701 2.2 76.5 1.0 F24 A:W5O701 2.2 76.5 1.0 C19 A:W5O701 2.4 66.9 1.0 C18 A:W5O701 3.0 75.1 1.0 CL27 A:W5O701 3.2 97.0 1.0 C20 A:W5O701 3.3 67.1 1.0 O A:LEU470 3.5 65.9 1.0 CE1 A:TYR141 3.8 71.6 1.0 CB A:ASP474 3.9 71.5 1.0 CD1 A:TYR141 4.0 68.8 1.0 CD2 A:LEU470 4.1 64.4 1.0 CG A:ASP474 4.2 81.8 1.0 C A:LEU470 4.2 60.9 1.0 CD2 A:LEU471 4.3 57.0 1.0 C17 A:W5O701 4.3 72.4 1.0 OD2 A:ASP474 4.4 92.0 1.0 C21 A:W5O701 4.5 76.9 1.0 CB A:LEU470 4.7 63.5 1.0 CA A:LEU471 4.8 54.5 1.0 OD1 A:ASP474 4.8 82.9 1.0 N A:LEU471 4.8 50.8 1.0 CG2 A:VAL145 4.8 55.1 1.0 CZ A:TYR141 4.9 73.5 1.0 CG A:LEU470 4.9 64.3 1.0 C22 A:W5O701 4.9 75.5 1.0 CA A:LEU470 5.0 55.7 1.0

Y.Wei, R.Li, Y.Meng, T.Hu, J.Zhao, Y.Gao, Q.Bai, N.Li, Y.Zhao. Transport Mechanism and Pharmacology of the Human GLYT1. Cell 2024.
ISSN: ISSN 1097-4172
PubMed: 38513663
DOI: 10.1016/J.CELL.2024.02.026