Fluorine in PDB 6ln2: Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38)

The structure of Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38), PDB code: 6ln2 was solved by F.Wu, L.Yang, K.Hang, M.Laursen, L.Wu, G.W.Han, Q.Ren, N.K.Roed, G.Lin, M.Hanson, H.Jiang, M.Wang, S.Reedtz-Runge, G.Song, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.040, 64.660, 322.400, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 26.2

The structure of Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38) also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38) (pdb code 6ln2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38), PDB code: 6ln2:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38)


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 Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38) within 5.0Å range: probe atom residue distance (Å) B Occ A:F503 b:0.2 occ:1.00 F01 A:97Y503 0.0 0.2 1.0 C21 A:97Y503 1.4 0.7 1.0 F03 A:97Y503 2.2 0.7 1.0 F02 A:97Y503 2.2 0.4 1.0 C18 A:97Y503 2.4 0.6 1.0 N09 A:97Y503 3.2 0.8 1.0 C22 A:97Y503 3.3 0.4 1.0 CG1 A:VAL332 4.1 0.0 1.0 CG2 A:ILE328 4.2 0.3 1.0 C23 A:97Y503 4.3 0.2 1.0 N07 A:97Y503 4.3 0.8 1.0 CG1 A:ILE328 4.8 0.9 1.0 CB A:ILE328 5.0 0.3 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38) within 5.0Å range: probe atom residue distance (Å) B Occ A:F503 b:0.4 occ:1.00 F02 A:97Y503 0.0 0.4 1.0 C21 A:97Y503 1.4 0.7 1.0 F01 A:97Y503 2.2 0.2 1.0 F03 A:97Y503 2.3 0.7 1.0 C18 A:97Y503 2.3 0.6 1.0 C22 A:97Y503 2.9 0.4 1.0 N09 A:97Y503 3.5 0.8 1.0 CG1 A:ILE328 3.8 0.9 1.0 CD1 A:LEU354 3.9 0.5 1.0 N07 A:97Y503 4.1 0.8 1.0 CG2 A:ILE328 4.2 0.3 1.0 CA A:ILE328 4.2 0.4 1.0 CB A:ILE328 4.2 0.3 1.0 CB A:VAL331 4.3 0.9 1.0 CG1 A:VAL331 4.3 0.7 1.0 C23 A:97Y503 4.4 0.2 1.0 CG2 A:VAL331 4.7 0.4 1.0 CD1 A:ILE328 4.9 0.6 1.0 O A:ILE328 4.9 0.3 1.0 CG1 A:VAL332 4.9 0.0 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Full Length Human GLP1 Receptor in Complex with Fab Fragment (FAB7F38) within 5.0Å range: probe atom residue distance (Å) B Occ A:F503 b:0.7 occ:1.00 F03 A:97Y503 0.0 0.7 1.0 C21 A:97Y503 1.4 0.7 1.0 F01 A:97Y503 2.2 0.2 1.0 F02 A:97Y503 2.3 0.4 1.0 C18 A:97Y503 2.4 0.6 1.0 N09 A:97Y503 2.8 0.8 1.0 CG1 A:VAL331 3.5 0.7 1.0 C22 A:97Y503 3.6 0.4 1.0 CE1 A:PHE347 4.0 0.2 1.0 CB A:VAL331 4.1 0.9 1.0 C23 A:97Y503 4.1 0.2 1.0 CG1 A:VAL332 4.1 0.0 1.0 CD1 A:LEU335 4.3 0.3 1.0 N07 A:97Y503 4.5 0.8 1.0 CZ A:PHE347 4.6 0.9 1.0 N A:VAL332 4.7 0.3 1.0 C A:VAL331 4.9 0.3 1.0 CD1 A:PHE347 5.0 0.8 1.0

F.Wu, L.Yang, K.Hang, M.Laursen, L.Wu, G.W.Han, Q.Ren, N.K.Roed, G.Lin, M.Hanson, H.Jiang, M.Wang, S.Reedtz-Runge, G.Song, R.C.Stevens. Full-Length Human Glp-1 Receptor Structure Without Orthosteric Ligands Nat Commun 2020.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-020-14934-5