Fluorine in PDB 7vkn: Crystal Structure of Trka (G595R) Kinase with Repotrectinib

All present enzymatic activity of Crystal Structure of Trka (G595R) Kinase with Repotrectinib:
2.7.10.1;

The structure of Crystal Structure of Trka (G595R) Kinase with Repotrectinib, PDB code: 7vkn was solved by B.W.Murray, E.Rogers, D.Zhai, W.Deng, X.Chen, P.A.Sprengeler, X.Zhang, A.Graber, S.H.Reich, S.Stopatschinskaja, B.Solomon, B.Besse, A.Drilon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.95 / 2.70
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	105.417, 105.417, 204.988, 90, 90, 120
R / Rfree (%)	18.2 / 25.6

The binding sites of Fluorine atom in the Crystal Structure of Trka (G595R) Kinase with Repotrectinib (pdb code 7vkn). 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 Crystal Structure of Trka (G595R) Kinase with Repotrectinib, PDB code: 7vkn:

Fluorine binding site 1 out of 1 in the Crystal Structure of Trka (G595R) Kinase with Repotrectinib


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 Trka (G595R) Kinase with Repotrectinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:58.3 occ:1.00 F A:7GI801 0.0 58.3 1.0 C7 A:7GI801 1.4 58.0 1.0 C6 A:7GI801 2.3 56.4 1.0 C8 A:7GI801 2.4 55.5 1.0 O A:ASN655 2.9 44.2 1.0 C A:ASN655 3.0 55.3 1.0 CA A:ASN655 3.3 51.0 1.0 CA A:GLY667 3.3 54.2 1.0 N A:ASP668 3.3 57.5 1.0 C A:GLY667 3.4 52.2 1.0 CG A:LEU657 3.5 57.5 1.0 N A:CYS656 3.6 52.8 1.0 C5 A:7GI801 3.6 52.4 1.0 C9 A:7GI801 3.7 54.8 1.0 O A:ARG654 3.8 41.2 1.0 C A:CYS656 3.8 51.5 1.0 CD2 A:LEU657 3.8 57.7 1.0 CB A:ASP668 3.8 62.5 1.0 N A:GLY667 3.9 51.6 1.0 O A:CYS656 3.9 50.6 1.0 CA A:CYS656 4.0 53.0 1.0 C4 A:7GI801 4.1 53.8 1.0 CD1 A:LEU657 4.1 60.7 1.0 CA A:ASP668 4.2 59.9 1.0 N A:LEU657 4.2 50.7 1.0 O A:GLY667 4.2 66.6 1.0 N A:ASN655 4.3 44.7 1.0 CB A:ASN655 4.3 51.5 1.0 C A:ARG654 4.4 43.7 1.0 CB A:LEU657 4.7 54.3 1.0 NH2 A:ARG673 4.8 120.7 1.0 OD1 A:ASN655 4.8 55.2 1.0 CA A:LEU657 4.9 55.2 1.0 C10 A:7GI801 4.9 57.2 1.0

B.W.Murray, E.Rogers, D.Zhai, W.Deng, X.Chen, P.A.Sprengeler, X.Zhang, A.Graber, S.H.Reich, S.Stopatschinskaja, B.Solomon, B.Besse, A.Drilon. Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of Trk Fusion Proteins and Resistant Mutations To Be Published.