Fluorine in PDB 8pqi: Pdgfra T674I Mutant Kinase Domain in Complex with Avapritinib Derivative 9

All present enzymatic activity of Pdgfra T674I Mutant Kinase Domain in Complex with Avapritinib Derivative 9:
2.7.10.1;

The structure of Pdgfra T674I Mutant Kinase Domain in Complex with Avapritinib Derivative 9, PDB code: 8pqi was solved by A.Teuber, S.Kleinboelting, M.P.Mueller, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.63 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.39, 74.04, 102.26, 90, 90, 90
R / Rfree (%)	23.1 / 25.4

The binding sites of Fluorine atom in the Pdgfra T674I Mutant Kinase Domain in Complex with Avapritinib Derivative 9 (pdb code 8pqi). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Pdgfra T674I Mutant Kinase Domain in Complex with Avapritinib Derivative 9, PDB code: 8pqi:

Fluorine binding site 1 out of 1 in the Pdgfra T674I Mutant Kinase Domain in Complex with Avapritinib Derivative 9


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pdgfra T674I Mutant Kinase Domain in Complex with Avapritinib Derivative 9 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:76.5 occ:1.00 F31 A:9OO1001 0.0 76.5 1.0 C28 A:9OO1001 1.4 73.0 1.0 C27 A:9OO1001 2.4 72.4 1.0 C29 A:9OO1001 2.4 78.6 1.0 CD2 A:LEU629 3.1 85.3 1.0 O A:MET628 3.3 69.0 1.0 C A:MET628 3.5 71.5 1.0 CG A:LEU629 3.6 83.5 1.0 C30 A:9OO1001 3.7 80.3 1.0 C26 A:9OO1001 3.7 76.8 1.0 CD1 A:LEU641 3.8 77.7 1.0 N A:LEU629 3.8 73.3 1.0 CG A:LYS627 4.0 64.1 1.0 CA A:LEU629 4.0 77.6 1.0 CD2 A:LEU641 4.1 74.7 1.0 CE A:LYS627 4.1 75.8 1.0 N A:MET628 4.1 65.4 1.0 C25 A:9OO1001 4.2 77.6 1.0 CA A:MET628 4.2 68.8 1.0 CA A:GLY605 4.3 83.6 1.0 CB A:LEU629 4.4 80.2 1.0 CG A:LEU641 4.4 82.3 1.0 N A:LYS606 4.6 78.4 1.0 CD A:LYS627 4.6 70.5 1.0 C A:LYS627 4.8 65.9 1.0 CB A:LEU641 4.8 88.2 1.0 O A:LYS606 4.8 66.7 1.0 CD1 A:LEU629 4.8 88.7 1.0 C A:GLY605 5.0 80.6 1.0

A.Teuber, T.Schulz, B.S.Fletcher, R.Gontla, T.Muehlenberg, M.-L.Zischinsky, J.Niggenaber, J.Weisner, S.B.Kleinboelting, J.Lategahn, S.Sievers, M.P.Mueller, S.Bauer, D.Rauh. Avapritinib-Based Sar Studies Reveal A Binding Pocket in Kit and Pdgfra Nat Commun 2023.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-023-44376-8