Fluorine in PDB 7du9: Crystal Structure of Human Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret in Complex with Pralsetinib

All present enzymatic activity of Crystal Structure of Human Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret in Complex with Pralsetinib:
2.7.10.1;

The structure of Crystal Structure of Human Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret in Complex with Pralsetinib, PDB code: 7du9 was solved by I.Miyazaki, K.Ishida, T.Suzuki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.72 / 2.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.887, 80.577, 79.866, 90, 99.72, 90
R / Rfree (%)	21.9 / 24.9

The binding sites of Fluorine atom in the Crystal Structure of Human Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret in Complex with Pralsetinib (pdb code 7du9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret in Complex with Pralsetinib, PDB code: 7du9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret in Complex with Pralsetinib


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 Human Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret in Complex with Pralsetinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:32.7 occ:1.00 FBL A:Q4J1101 0.0 32.7 1.0 CBJ A:Q4J1101 1.3 36.4 1.0 CBK A:Q4J1101 2.4 38.0 1.0 CBI A:Q4J1101 2.4 40.5 1.0 O A:MET759 2.9 34.9 1.0 C A:MET759 3.0 35.8 1.0 N A:MET759 3.1 33.3 1.0 CD1 A:LEU772 3.2 29.7 1.0 CA A:MET759 3.3 35.6 1.0 NBH A:Q4J1101 3.5 41.6 1.0 NBG A:Q4J1101 3.5 38.7 1.0 CG A:LYS758 3.5 41.6 1.0 N A:LEU760 3.7 35.6 1.0 C A:LYS758 3.8 33.2 1.0 CD2 A:LEU772 3.8 30.6 1.0 CD2 A:LEU760 3.8 37.1 1.0 CG A:LEU772 4.0 30.1 1.0 CE A:LYS758 4.3 48.8 1.0 CB A:LYS758 4.3 36.5 1.0 CA A:LEU760 4.3 37.2 1.0 O A:LYS737 4.4 28.5 1.0 O A:LYS758 4.4 31.3 1.0 CG A:LEU760 4.4 38.3 1.0 CA A:LYS758 4.4 33.3 1.0 CD A:LYS758 4.5 45.6 1.0 N A:LYS737 4.6 33.8 1.0 CA A:GLY736 4.6 37.0 1.0 CB A:LEU772 4.7 29.9 1.0 CBD A:Q4J1101 4.8 36.8 1.0 CB A:MET759 4.9 38.6 1.0 CB A:LEU760 5.0 38.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret in Complex with Pralsetinib


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 Human Proto-Oncogene Tyrosine-Protein Kinase Receptor Ret in Complex with Pralsetinib within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:30.1 occ:1.00 FBL B:Q4J1101 0.0 30.1 1.0 CBJ B:Q4J1101 1.3 30.0 1.0 CBK B:Q4J1101 2.4 30.5 1.0 CBI B:Q4J1101 2.4 33.8 1.0 O B:MET759 3.1 31.8 1.0 C B:MET759 3.3 33.2 1.0 CD1 B:LEU772 3.4 30.6 1.0 N B:MET759 3.5 35.9 1.0 NBH B:Q4J1101 3.5 38.2 1.0 NBG B:Q4J1101 3.5 33.8 1.0 CB B:LYS758 3.7 38.0 1.0 C B:LYS758 3.8 36.8 1.0 CA B:MET759 3.8 34.9 1.0 CD2 B:LEU772 3.8 31.3 1.0 N B:LEU760 3.9 31.9 1.0 CD2 B:LEU760 4.0 30.4 1.0 CA B:LYS758 4.1 36.5 1.0 CG B:LEU772 4.2 30.4 1.0 O B:LYS737 4.3 27.4 1.0 O B:LYS758 4.3 38.9 1.0 CA B:LEU760 4.4 32.6 1.0 CG B:LEU760 4.6 31.0 1.0 CE B:LYS758 4.6 47.4 1.0 O B:HOH1226 4.7 22.2 1.0 N B:LYS737 4.7 29.2 1.0 CA B:GLY736 4.7 30.2 1.0 CBD B:Q4J1101 4.8 32.3 1.0 CG B:LYS758 4.9 41.7 1.0 CB B:LEU772 4.9 29.2 1.0

I.Miyazaki, K.Ishida, T.Suzuki. Selective Ret Inhibitor TAS0953/HM06 To Be Published.