Fluorine in PDB 6kk1: Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain

The structure of Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain, PDB code: 6kk1 was solved by G.J.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.50 / 2.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	64.930, 67.350, 83.680, 91.07, 90.10, 107.96
R / Rfree (%)	24.4 / 29

The binding sites of Fluorine atom in the Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain (pdb code 6kk1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain, PDB code: 6kk1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:78.5 occ:1.00 F01 A:97Y2001 0.0 78.5 1.0 C21 A:97Y2001 1.3 73.8 1.0 F02 A:97Y2001 2.1 78.4 1.0 F03 A:97Y2001 2.2 80.5 1.0 C18 A:97Y2001 2.3 62.6 1.0 N09 A:97Y2001 2.9 58.7 1.0 CG1 A:VAL331 3.6 68.5 1.0 C22 A:97Y2001 3.6 59.3 1.0 CG1 A:VAL332 3.9 69.1 1.0 CD1 A:LEU335 4.1 68.9 1.0 CE1 A:PHE347 4.1 73.9 1.0 C23 A:97Y2001 4.2 56.0 1.0 CB A:VAL331 4.3 56.4 1.0 N07 A:97Y2001 4.4 59.0 1.0 CG2 B:ILE286 4.5 56.8 1.0 N A:VAL332 4.7 79.5 1.0 CZ A:PHE347 4.9 73.4 1.0 CD1 B:LEU290 4.9 42.1 1.0 CA A:VAL332 4.9 80.2 1.0 C A:VAL331 4.9 66.7 1.0 CD1 A:PHE347 5.0 71.7 1.0 CB A:VAL332 5.0 80.0 1.0

Fluorine binding site 2 out of 6 in the Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:78.4 occ:1.00 F02 A:97Y2001 0.0 78.4 1.0 C21 A:97Y2001 1.3 73.8 1.0 F01 A:97Y2001 2.1 78.5 1.0 F03 A:97Y2001 2.1 80.5 1.0 C18 A:97Y2001 2.3 62.6 1.0 C22 A:97Y2001 3.2 59.3 1.0 N09 A:97Y2001 3.2 58.7 1.0 CD1 B:ILE286 3.5 47.9 1.0 CG2 B:ILE286 3.5 56.8 1.0 CG1 A:VAL332 4.0 69.1 1.0 N07 A:97Y2001 4.2 59.0 1.0 CG1 B:ILE286 4.2 55.2 1.0 C23 A:97Y2001 4.3 56.0 1.0 CG2 A:ILE328 4.4 68.0 1.0 CB B:ILE286 4.4 55.1 1.0

Fluorine binding site 3 out of 6 in the Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:80.5 occ:1.00 F03 A:97Y2001 0.0 80.5 1.0 C21 A:97Y2001 1.3 73.8 1.0 F02 A:97Y2001 2.1 78.4 1.0 F01 A:97Y2001 2.2 78.5 1.0 C18 A:97Y2001 2.4 62.6 1.0 C22 A:97Y2001 2.8 59.3 1.0 CD1 A:LEU354 3.6 68.2 1.0 N09 A:97Y2001 3.6 58.7 1.0 CG1 A:ILE328 4.0 71.2 1.0 N07 A:97Y2001 4.1 59.0 1.0 CG2 A:ILE328 4.2 68.0 1.0 CG1 A:VAL331 4.3 68.5 1.0 C23 A:97Y2001 4.5 56.0 1.0 CB A:VAL331 4.5 56.4 1.0 CB A:ILE328 4.5 59.0 1.0 CA A:ILE328 4.6 55.1 1.0 CD1 A:ILE328 4.7 67.9 1.0 CG1 A:VAL332 4.8 69.1 1.0 O A:ILE328 4.9 51.9 1.0

Fluorine binding site 4 out of 6 in the Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:F2001 b:93.3 occ:1.00 F01 B:97Y2001 0.0 93.3 1.0 C21 B:97Y2001 1.3 77.0 1.0 F03 B:97Y2001 2.1 83.7 1.0 F02 B:97Y2001 2.2 71.6 1.0 C18 B:97Y2001 2.4 63.3 1.0 N09 B:97Y2001 2.8 63.1 1.0 CG1 B:VAL331 3.5 63.8 1.0 C22 B:97Y2001 3.7 54.1 1.0 CD1 B:LEU335 3.7 67.3 1.0 CE1 B:PHE347 3.8 67.8 1.0 CG1 B:VAL332 3.9 72.7 1.0 C23 B:97Y2001 4.1 57.4 1.0 CB B:VAL331 4.3 64.5 1.0 N07 B:97Y2001 4.4 57.5 1.0 CZ B:PHE347 4.6 61.6 1.0 N B:VAL332 4.7 78.2 1.0 CD1 B:PHE347 4.7 67.3 1.0 CA B:VAL332 4.9 74.6 1.0 C B:VAL331 4.9 72.9 1.0 CB B:VAL332 5.0 74.7 1.0

Fluorine binding site 5 out of 6 in the Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:F2001 b:71.6 occ:1.00 F02 B:97Y2001 0.0 71.6 1.0 C21 B:97Y2001 1.3 77.0 1.0 F03 B:97Y2001 2.1 83.7 1.0 F01 B:97Y2001 2.2 93.3 1.0 C18 B:97Y2001 2.3 63.3 1.0 C22 B:97Y2001 3.2 54.1 1.0 N09 B:97Y2001 3.3 63.1 1.0 CG1 B:VAL332 3.9 72.7 1.0 N07 B:97Y2001 4.2 57.5 1.0 CG2 B:ILE328 4.3 50.3 1.0 C23 B:97Y2001 4.3 57.4 1.0

Fluorine binding site 6 out of 6 in the Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Thermal-Stabilised(M8) Human Glp-1 Receptor Transmembrane Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:F2001 b:83.7 occ:1.00 F03 B:97Y2001 0.0 83.7 1.0 C21 B:97Y2001 1.3 77.0 1.0 F01 B:97Y2001 2.1 93.3 1.0 F02 B:97Y2001 2.1 71.6 1.0 C18 B:97Y2001 2.3 63.3 1.0 C22 B:97Y2001 2.9 54.1 1.0 N09 B:97Y2001 3.5 63.1 1.0 CG1 B:VAL331 3.8 63.8 1.0 CD1 B:LEU354 3.9 76.2 1.0 CB B:VAL331 4.1 64.5 1.0 N07 B:97Y2001 4.1 57.5 1.0 C23 B:97Y2001 4.4 57.4 1.0 CG1 B:ILE328 4.5 66.2 1.0 CG2 B:ILE328 4.5 50.3 1.0 CG1 B:VAL332 4.6 72.7 1.0 CE1 B:PHE347 4.6 67.8 1.0 CG2 B:VAL331 4.7 65.0 1.0 CA B:ILE328 4.7 56.6 1.0 CB B:ILE328 4.8 57.0 1.0 O B:ILE328 4.8 58.7 1.0

Y.M.Xu, Y.X.Wang, Y.Wang, K.W.Liu, Y.Peng, D.Q.Yao, H.Tao, H.G.Liu, G.J.Song. Mutagenesis Facilitated Crystallization of Glp-1R Iucrj V. 6 996 2019.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252519013496