Fluorine in PDB 8u8b: Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Rebastinib

All present enzymatic activity of Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Rebastinib:
2.7.11.1;

The binding sites of Fluorine atom in the Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Rebastinib (pdb code 8u8b). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Rebastinib, PDB code: 8u8b:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Rebastinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Rebastinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F2602 b:48.9 occ:1.00 F68 A:9192602 0.0 48.9 1.0 C38 A:9192602 1.4 48.9 1.0 C39 A:9192602 2.4 48.9 1.0 C37 A:9192602 2.4 48.9 1.0 N60 A:9192602 2.7 48.9 1.0 CD1 A:LEU1945 3.2 46.7 1.0 CG A:MET1947 3.2 48.9 1.0 SD A:MET1947 3.5 48.9 1.0 CE A:LYS1906 3.5 49.2 1.0 C34 A:9192602 3.6 48.9 1.0 C36 A:9192602 3.6 48.9 1.0 NZ A:LYS1906 4.0 49.2 1.0 C35 A:9192602 4.1 48.9 1.0 C58 A:9192602 4.1 48.9 1.0 CD A:LYS1906 4.3 49.2 1.0 CB A:LYS1906 4.3 49.2 1.0 CE A:MET1947 4.4 48.9 1.0 CB A:MET1947 4.5 48.9 1.0 CG A:LEU1945 4.5 46.7 1.0 O65 A:9192602 4.8 48.9 1.0 CG A:LYS1906 4.8 49.2 1.0 CD2 A:LEU1924 4.9 54.1 1.0 CD2 A:LEU1945 4.9 46.7 1.0 N56 A:9192602 4.9 48.9 1.0 O63 A:9192602 4.9 48.9 1.0

Fluorine binding site 2 out of 2 in the Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Rebastinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Rebastinib within 5.0Å range: probe atom residue distance (Å) B Occ B:F2602 b:36.9 occ:1.00 F68 B:9192602 0.0 36.9 1.0 C38 B:9192602 1.4 36.9 1.0 C39 B:9192602 2.4 36.9 1.0 C37 B:9192602 2.4 36.9 1.0 N60 B:9192602 2.7 36.9 1.0 CD1 B:LEU1945 3.1 35.5 1.0 CG B:MET1947 3.2 40.4 1.0 SD B:MET1947 3.4 40.4 1.0 CE B:LYS1906 3.6 38.0 1.0 C34 B:9192602 3.6 36.9 1.0 C36 B:9192602 3.6 36.9 1.0 NZ B:LYS1906 4.1 38.0 1.0 C58 B:9192602 4.1 36.9 1.0 C35 B:9192602 4.1 36.9 1.0 CE B:MET1947 4.3 40.4 1.0 CD B:LYS1906 4.4 38.0 1.0 CB B:LYS1906 4.4 38.0 1.0 CB B:MET1947 4.5 40.4 1.0 CG B:LEU1945 4.5 35.5 1.0 O65 B:9192602 4.8 36.9 1.0 CD2 B:LEU1945 4.9 35.5 1.0 O63 B:9192602 4.9 36.9 1.0 N56 B:9192602 4.9 36.9 1.0 CG B:LYS1906 4.9 38.0 1.0 CD2 B:LEU1924 5.0 44.0 1.0

H.Zhu, P.Hixson, W.Ma, J.Sun. Pharmacology of LRRK2 with Type I and II Kinase Inhibitors Revealed By Cryo-Em. Cell Discov V. 10 10 2024.
ISSN: ESSN 2056-5968
PubMed: 38263358
DOI: 10.1038/S41421-023-00639-8