Fluorine in PDB 8u7h: Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915

The binding sites of Fluorine atom in the Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915 (pdb code 8u7h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915, PDB code: 8u7h:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915


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 I Inhibitor Gne-7915 within 5.0Å range: probe atom residue distance (Å) B Occ C:F2602 b:31.2 occ:1.00 F27 C:A0T2602 0.0 31.2 1.0 C13 C:A0T2602 1.4 31.2 1.0 C14 C:A0T2602 2.4 31.2 1.0 C12 C:A0T2602 2.4 31.2 1.0 C19 C:A0T2602 2.9 31.2 1.0 O20 C:A0T2602 3.5 31.2 1.0 N21 C:A0T2602 3.5 31.2 1.0 C15 C:A0T2602 3.6 31.2 1.0 C11 C:A0T2602 3.7 31.2 1.0 C22 C:A0T2602 3.8 31.2 1.0 N C:SER1954 3.9 28.7 1.0 C23 C:A0T2602 4.0 31.2 1.0 C16 C:A0T2602 4.1 31.2 1.0 CB C:SER1954 4.2 28.7 1.0 CB C:ARG1957 4.4 39.3 1.0 CA C:GLY1953 4.6 27.5 1.0 C26 C:A0T2602 4.6 31.2 1.0 CG C:ARG1957 4.7 39.3 1.0 CA C:SER1954 4.7 28.7 1.0 C C:GLY1953 4.8 27.5 1.0 N10 C:A0T2602 4.9 31.2 1.0 N C:GLY1886 4.9 35.3 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915


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 I Inhibitor Gne-7915 within 5.0Å range: probe atom residue distance (Å) B Occ C:F2602 b:31.2 occ:1.00 F29 C:A0T2602 0.0 31.2 1.0 C28 C:A0T2602 1.4 31.2 1.0 F31 C:A0T2602 2.2 31.2 1.0 F30 C:A0T2602 2.2 31.2 1.0 C05 C:A0T2602 2.3 31.2 1.0 C06 C:A0T2602 2.7 31.2 1.0 CB C:ALA1904 3.1 25.4 1.0 CE C:MET1947 3.2 26.6 1.0 C04 C:A0T2602 3.6 31.2 1.0 O C:GLU1948 3.9 25.8 1.0 CB C:MET1947 4.0 26.6 1.0 N07 C:A0T2602 4.0 31.2 1.0 N03 C:A0T2602 4.2 31.2 1.0 O C:ALA1904 4.2 25.4 1.0 CA C:ALA1904 4.5 25.4 1.0 SD C:MET1947 4.6 26.6 1.0 N09 C:A0T2602 4.6 31.2 1.0 O C:MET1947 4.7 26.6 1.0 CG1 C:VAL1893 4.8 31.7 1.0 CG C:MET1947 4.8 26.6 1.0 C C:ALA1904 4.8 25.4 1.0 C08 C:A0T2602 4.8 31.2 1.0 C C:MET1947 4.8 26.6 1.0 CD1 C:LEU2001 4.9 23.6 1.0 C C:GLU1948 4.9 25.8 1.0 CA C:MET1947 5.0 26.6 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915 within 5.0Å range: probe atom residue distance (Å) B Occ C:F2602 b:31.2 occ:1.00 F30 C:A0T2602 0.0 31.2 1.0 C28 C:A0T2602 1.4 31.2 1.0 F29 C:A0T2602 2.2 31.2 1.0 F31 C:A0T2602 2.2 31.2 1.0 C05 C:A0T2602 2.4 31.2 1.0 N03 C:A0T2602 2.5 31.2 1.0 C04 C:A0T2602 2.8 31.2 1.0 CG1 C:VAL1893 3.3 31.7 1.0 CE C:MET1947 3.6 26.6 1.0 C06 C:A0T2602 3.6 31.2 1.0 CB C:VAL1893 3.8 31.7 1.0 CG2 C:VAL1893 3.9 31.7 1.0 C02 C:A0T2602 3.9 31.2 1.0 N09 C:A0T2602 4.1 31.2 1.0 C01 C:A0T2602 4.3 31.2 1.0 CB C:ALA1904 4.5 25.4 1.0 N07 C:A0T2602 4.6 31.2 1.0 C08 C:A0T2602 4.8 31.2 1.0 CD1 C:LEU2001 5.0 23.6 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915 within 5.0Å range: probe atom residue distance (Å) B Occ C:F2602 b:31.2 occ:1.00 F31 C:A0T2602 0.0 31.2 1.0 C28 C:A0T2602 1.4 31.2 1.0 F29 C:A0T2602 2.2 31.2 1.0 F30 C:A0T2602 2.2 31.2 1.0 C05 C:A0T2602 2.4 31.2 1.0 CD1 C:LEU2001 3.1 23.6 1.0 C04 C:A0T2602 3.2 31.2 1.0 C06 C:A0T2602 3.2 31.2 1.0 N03 C:A0T2602 3.4 31.2 1.0 CB C:ALA2016 3.5 30.0 1.0 CE C:MET1947 3.7 26.6 1.0 N09 C:A0T2602 4.4 31.2 1.0 CG C:LEU2001 4.4 23.6 1.0 N07 C:A0T2602 4.4 31.2 1.0 CG1 C:ILE1933 4.4 25.8 1.0 C02 C:A0T2602 4.5 31.2 1.0 CD1 C:ILE1933 4.6 25.8 1.0 CD2 C:LEU2001 4.6 23.6 1.0 C08 C:A0T2602 4.9 31.2 1.0 O C:GLU1948 4.9 25.8 1.0 SD C:MET1947 4.9 26.6 1.0 C01 C:A0T2602 4.9 31.2 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