Fluorine in PDB 8kcs: Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024 (pdb code 8kcs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024, PDB code: 8kcs:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024


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 Human Gamma-Secretase in Complex with BMS906024 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:58.2 occ:1.00 F01 B:Q70502 0.0 58.2 1.0 C23 B:Q70502 1.4 58.2 1.0 F02 B:Q70502 2.2 58.2 1.0 F03 B:Q70502 2.2 58.2 1.0 C19 B:Q70502 2.4 58.2 1.0 CG B:LEU422 3.6 54.1 1.0 CD1 B:LEU422 3.6 54.1 1.0 CA B:LEU422 3.6 54.1 1.0 C16 B:Q70502 3.6 58.2 1.0 CB B:LEU422 3.6 54.1 1.0 CD2 B:LEU425 3.8 56.9 1.0 CD1 B:LEU85 3.9 50.5 1.0 N B:LEU422 4.0 54.1 1.0 C B:THR421 4.5 53.1 1.0 CB B:LEU425 4.5 56.9 1.0 O B:THR421 4.6 53.1 1.0 CG B:LEU425 4.7 56.9 1.0 C14 B:Q70502 4.7 58.2 1.0 C B:LEU422 4.9 54.1 1.0 CG2 B:THR421 4.9 53.1 1.0

Fluorine binding site 2 out of 6 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024


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 Human Gamma-Secretase in Complex with BMS906024 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:58.2 occ:1.00 F02 B:Q70502 0.0 58.2 1.0 C23 B:Q70502 1.4 58.2 1.0 F01 B:Q70502 2.2 58.2 1.0 F03 B:Q70502 2.2 58.2 1.0 C19 B:Q70502 2.4 58.2 1.0 C16 B:Q70502 3.3 58.2 1.0 CD1 B:LEU418 3.5 50.1 1.0 CG2 B:THR421 3.6 53.1 1.0 CB B:THR421 3.9 53.1 1.0 CD1 B:LEU381 3.9 51.2 1.0 CB B:ALA434 4.0 54.7 1.0 N B:LEU422 4.1 54.1 1.0 O B:LEU418 4.3 50.1 1.0 C B:THR421 4.3 53.1 1.0 CD1 B:LEU85 4.4 50.5 1.0 CA B:LEU422 4.4 54.1 1.0 CB B:LEU422 4.6 54.1 1.0 C14 B:Q70502 4.6 58.2 1.0 O B:THR421 4.7 53.1 1.0 CG B:LEU418 4.7 50.1 1.0 CA B:THR421 4.8 53.1 1.0 CA B:ALA434 4.9 54.7 1.0 OG1 B:THR421 5.0 53.1 1.0

Fluorine binding site 3 out of 6 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024


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 Human Gamma-Secretase in Complex with BMS906024 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:58.2 occ:1.00 F03 B:Q70502 0.0 58.2 1.0 C23 B:Q70502 1.4 58.2 1.0 F01 B:Q70502 2.2 58.2 1.0 F02 B:Q70502 2.2 58.2 1.0 C19 B:Q70502 2.4 58.2 1.0 C16 B:Q70502 2.6 58.2 1.0 CG2 B:THR421 3.2 53.1 1.0 O B:THR421 3.6 53.1 1.0 C B:THR421 3.8 53.1 1.0 C14 B:Q70502 4.0 58.2 1.0 N B:LEU422 4.0 54.1 1.0 CB B:THR421 4.1 53.1 1.0 CA B:LEU422 4.1 54.1 1.0 CB B:LEU425 4.1 56.9 1.0 CD2 B:LEU425 4.3 56.9 1.0 CD1 B:LEU425 4.4 56.9 1.0 C18 B:Q70502 4.4 58.2 1.0 O07 B:Q70502 4.5 58.2 1.0 CG B:LEU425 4.5 56.9 1.0 CA B:THR421 4.6 53.1 1.0 CB B:LEU432 4.6 56.6 1.0 CB B:LEU422 4.9 54.1 1.0 O B:LEU432 4.9 56.6 1.0 CD1 B:LEU432 4.9 56.6 1.0

Fluorine binding site 4 out of 6 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024


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 Human Gamma-Secretase in Complex with BMS906024 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:58.2 occ:1.00 F04 B:Q70502 0.0 58.2 1.0 C24 B:Q70502 1.4 58.2 1.0 F05 B:Q70502 2.2 58.2 1.0 F06 B:Q70502 2.2 58.2 1.0 C20 B:Q70502 2.4 58.2 1.0 C17 B:Q70502 3.7 58.2 1.0 CG2 B:VAL272 4.0 66.5 1.0 CD1 B:LEU268 4.5 65.8 1.0 CB B:LEU268 4.5 65.8 1.0 CD2 B:LEU268 4.6 65.8 1.0 C15 B:Q70502 4.7 58.2 1.0 CG B:LEU268 4.8 65.8 1.0 O B:LEU268 4.8 65.8 1.0 C21 B:Q70502 4.9 58.2 1.0 CG2 B:VAL261 4.9 61.0 1.0

Fluorine binding site 5 out of 6 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:58.2 occ:1.00 F05 B:Q70502 0.0 58.2 1.0 C24 B:Q70502 1.4 58.2 1.0 F04 B:Q70502 2.2 58.2 1.0 F06 B:Q70502 2.2 58.2 1.0 C20 B:Q70502 2.4 58.2 1.0 C17 B:Q70502 2.9 58.2 1.0 CB B:ALA431 3.5 57.9 1.0 C15 B:Q70502 3.6 58.2 1.0 CG2 B:VAL272 3.8 66.5 1.0 CG1 B:VAL261 4.1 61.0 1.0 O B:LEU432 4.3 56.6 1.0 C21 B:Q70502 4.4 58.2 1.0 CG2 B:VAL261 4.5 61.0 1.0 O07 B:Q70502 4.5 58.2 1.0 CA B:ALA431 4.5 57.9 1.0 N11 B:Q70502 4.6 58.2 1.0 C B:ALA431 4.7 57.9 1.0 N B:LEU432 4.7 56.6 1.0 C18 B:Q70502 4.8 58.2 1.0 C14 B:Q70502 4.9 58.2 1.0 CB B:VAL261 4.9 61.0 1.0 C B:LEU432 5.0 56.6 1.0

Fluorine binding site 6 out of 6 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Cryo-Em Structure of Human Gamma-Secretase in Complex with BMS906024 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:58.2 occ:1.00 F06 B:Q70502 0.0 58.2 1.0 C24 B:Q70502 1.4 58.2 1.0 F04 B:Q70502 2.2 58.2 1.0 F05 B:Q70502 2.2 58.2 1.0 C20 B:Q70502 2.3 58.2 1.0 C17 B:Q70502 2.8 58.2 1.0 CG2 B:VAL272 3.3 66.5 1.0 C36 B:Q70502 4.1 58.2 1.0 C15 B:Q70502 4.2 58.2 1.0 CB B:ALA431 4.4 57.9 1.0 CD1 B:ILE287 4.5 53.5 1.0 CB B:VAL272 4.6 66.5 1.0 CG1 B:VAL272 4.7 66.5 1.0 CD1 B:LEU282 4.7 69.5 1.0 C38 B:Q70502 4.8 58.2 1.0 C18 B:Q70502 4.9 58.2 1.0 N13 B:Q70502 4.9 58.2 1.0 C21 B:Q70502 5.0 58.2 1.0

X.Guo, H.Li, U.Kai, C.Yan, J.Lei, R.Zhou, Y.Shi. Structural Basis of Gamma-Secretase Inhibition By Anti-Cancer Clinical Drugs To Be Published.