Fluorine in PDB 8smc: Cryo-Em Structure of LRRK2 Bound with Type-I Inhibitor DNL201

The binding sites of Fluorine atom in the Cryo-Em Structure of LRRK2 Bound with Type-I Inhibitor DNL201 (pdb code 8smc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of LRRK2 Bound with Type-I Inhibitor DNL201, PDB code: 8smc:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of LRRK2 Bound with Type-I Inhibitor DNL201


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 with Type-I Inhibitor DNL201 within 5.0Å range: probe atom residue distance (Å) B Occ C:F2602 b:13.3 occ:1.00 F1 C:TVT2602 0.0 13.3 1.0 C14 C:TVT2602 1.4 13.3 1.0 F2 C:TVT2602 2.2 13.3 1.0 F3 C:TVT2602 2.2 13.3 1.0 C13 C:TVT2602 2.3 13.3 1.0 N1 C:TVT2602 2.4 13.3 1.0 C2 C:TVT2602 2.7 13.3 1.0 CG1 C:VAL1893 3.2 13.6 1.0 C1 C:TVT2602 3.3 13.3 1.0 CB C:VAL1893 3.5 13.6 1.0 CE C:MET1947 3.6 27.6 1.0 C12 C:TVT2602 3.6 13.3 1.0 CG2 C:VAL1893 3.8 13.6 1.0 N2 C:TVT2602 4.0 13.3 1.0 CB C:ALA1904 4.3 13.2 1.0 N7 C:TVT2602 4.6 13.3 1.0 O C:ALA1904 4.7 13.2 1.0 C3 C:TVT2602 4.8 13.3 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of LRRK2 Bound with Type-I Inhibitor DNL201


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 with Type-I Inhibitor DNL201 within 5.0Å range: probe atom residue distance (Å) B Occ C:F2602 b:13.3 occ:1.00 F2 C:TVT2602 0.0 13.3 1.0 C14 C:TVT2602 1.4 13.3 1.0 F1 C:TVT2602 2.2 13.3 1.0 F3 C:TVT2602 2.2 13.3 1.0 C13 C:TVT2602 2.3 13.3 1.0 C2 C:TVT2602 3.2 13.3 1.0 C12 C:TVT2602 3.2 13.3 1.0 CE C:MET1947 3.3 27.6 1.0 N1 C:TVT2602 3.4 13.3 1.0 CD1 C:ILE1933 3.5 8.4 1.0 CD1 C:LEU2001 3.6 7.5 1.0 CB C:ALA2016 3.6 17.1 1.0 C1 C:TVT2602 3.7 13.3 1.0 SD C:MET1947 4.2 27.6 1.0 N2 C:TVT2602 4.3 13.3 1.0 N7 C:TVT2602 4.3 13.3 1.0 CB C:MET1947 4.5 27.6 1.0 C3 C:TVT2602 4.8 13.3 1.0 CG C:LEU2001 4.8 7.5 1.0 CG1 C:ILE1933 4.9 8.4 1.0 CG C:MET1947 4.9 27.6 1.0 CA C:ALA2016 4.9 17.1 1.0 CG2 C:ILE1933 5.0 8.4 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of LRRK2 Bound with Type-I Inhibitor DNL201


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 with Type-I Inhibitor DNL201 within 5.0Å range: probe atom residue distance (Å) B Occ C:F2602 b:13.3 occ:1.00 F3 C:TVT2602 0.0 13.3 1.0 C14 C:TVT2602 1.4 13.3 1.0 F2 C:TVT2602 2.2 13.3 1.0 F1 C:TVT2602 2.2 13.3 1.0 C13 C:TVT2602 2.4 13.3 1.0 C12 C:TVT2602 2.8 13.3 1.0 CB C:ALA1904 3.2 13.2 1.0 CB C:MET1947 3.4 27.6 1.0 CE C:MET1947 3.4 27.6 1.0 C2 C:TVT2602 3.6 13.3 1.0 O C:ALA1904 3.6 13.2 1.0 N7 C:TVT2602 4.1 13.3 1.0 N1 C:TVT2602 4.1 13.3 1.0 CD1 C:ILE1933 4.1 8.4 1.0 CG C:MET1947 4.2 27.6 1.0 O C:MET1947 4.2 27.6 1.0 CA C:ALA1904 4.3 13.2 1.0 SD C:MET1947 4.3 27.6 1.0 C C:MET1947 4.4 27.6 1.0 C C:ALA1904 4.4 13.2 1.0 CA C:MET1947 4.4 27.6 1.0 O C:GLU1948 4.6 12.6 1.0 N2 C:TVT2602 4.6 13.3 1.0 CG1 C:VAL1893 4.7 13.6 1.0 C3 C:TVT2602 4.9 13.3 1.0 N C:MET1947 4.9 27.6 1.0 N C:ALA1904 4.9 13.2 1.0 CB C:VAL1893 5.0 13.6 1.0

H.Zhu, F.Tonelli, M.Turk, A.Prescott, D.R.Alessi, J.Sun. RAB29-Dependent Asymmetrical Activation of Leucine-Rich Repeat Kinase 2. Science V. 382 1404 2023.
ISSN: ESSN 1095-9203
PubMed: 38127736
DOI: 10.1126/SCIENCE.ADI9926