Fluorine in PDB 8kco: Cryo-Em Structure of Human Gamma-Secretase in Complex with RO4929097

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Gamma-Secretase in Complex with RO4929097 (pdb code 8kco). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Cryo-Em Structure of Human Gamma-Secretase in Complex with RO4929097, PDB code: 8kco:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with RO4929097


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 RO4929097 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:49.5 occ:1.00 F01 B:N60501 0.0 49.5 1.0 C30 B:N60501 1.4 49.5 1.0 F02 B:N60501 2.2 49.5 1.0 C25 B:N60501 2.4 49.5 1.0 C33 B:N60501 2.4 49.5 1.0 F04 B:N60501 2.6 49.5 1.0 N11 B:N60501 2.8 49.5 1.0 N B:GLY382 2.8 49.6 1.0 F05 B:N60501 2.9 49.5 1.0 O07 B:N60501 3.1 49.5 1.0 C19 B:N60501 3.1 49.5 1.0 CA B:GLY382 3.3 49.6 1.0 F03 B:N60501 3.5 49.5 1.0 C B:LEU381 3.7 49.2 1.0 CD1 B:ILE287 3.9 50.9 1.0 OD2 B:ASP385 4.0 51.3 1.0 C23 B:N60501 4.1 49.5 1.0 CA B:LEU381 4.2 49.2 1.0 C27 B:N60501 4.3 49.5 1.0 C12 B:N60501 4.3 49.5 1.0 C15 B:N60501 4.6 49.5 1.0 O B:LEU381 4.7 49.2 1.0 C B:GLY382 4.7 49.6 1.0 O06 B:N60501 4.9 49.5 1.0 C17 B:N60501 4.9 49.5 1.0 N B:LEU381 4.9 49.2 1.0 O B:LYS380 4.9 49.7 1.0

Fluorine binding site 2 out of 5 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with RO4929097


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 RO4929097 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:49.5 occ:1.00 F02 B:N60501 0.0 49.5 1.0 C30 B:N60501 1.4 49.5 1.0 F01 B:N60501 2.2 49.5 1.0 C25 B:N60501 2.3 49.5 1.0 C33 B:N60501 2.3 49.5 1.0 F05 B:N60501 2.6 49.5 1.0 F03 B:N60501 2.8 49.5 1.0 F04 B:N60501 3.5 49.5 1.0 CA B:GLY382 3.6 49.6 1.0 N11 B:N60501 3.6 49.5 1.0 N B:GLY382 4.0 49.6 1.0 OD2 B:ASP385 4.0 51.3 1.0 O07 B:N60501 4.3 49.5 1.0 C19 B:N60501 4.5 49.5 1.0 CG B:ASP385 4.7 51.3 1.0 OD1 B:ASP385 4.7 51.3 1.0 CD2 B:LEU268 4.7 60.3 1.0 C B:GLY382 4.8 49.6 1.0

Fluorine binding site 3 out of 5 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with RO4929097


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 RO4929097 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:49.5 occ:1.00 F03 B:N60501 0.0 49.5 1.0 C33 B:N60501 1.4 49.5 1.0 F04 B:N60501 2.2 49.5 1.0 F05 B:N60501 2.2 49.5 1.0 C30 B:N60501 2.3 49.5 1.0 C25 B:N60501 2.6 49.5 1.0 F02 B:N60501 2.8 49.5 1.0 N11 B:N60501 3.2 49.5 1.0 F01 B:N60501 3.5 49.5 1.0 CG2 B:VAL261 3.7 55.4 1.0 O B:LEU432 4.0 50.3 1.0 CD2 B:LEU268 4.1 60.3 1.0 CG1 B:VAL261 4.4 55.4 1.0 C19 B:N60501 4.6 49.5 1.0 C B:LEU432 4.7 50.3 1.0 CB B:VAL261 4.7 55.4 1.0 CB B:ALA431 5.0 51.5 1.0 O06 B:N60501 5.0 49.5 1.0

Fluorine binding site 4 out of 5 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with RO4929097


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 RO4929097 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:49.5 occ:1.00 F04 B:N60501 0.0 49.5 1.0 C33 B:N60501 1.4 49.5 1.0 F03 B:N60501 2.2 49.5 1.0 F05 B:N60501 2.2 49.5 1.0 C30 B:N60501 2.3 49.5 1.0 N11 B:N60501 2.6 49.5 1.0 F01 B:N60501 2.6 49.5 1.0 C25 B:N60501 2.9 49.5 1.0 C23 B:N60501 3.2 49.5 1.0 C27 B:N60501 3.4 49.5 1.0 O06 B:N60501 3.5 49.5 1.0 F02 B:N60501 3.5 49.5 1.0 C19 B:N60501 3.6 49.5 1.0 C15 B:N60501 3.9 49.5 1.0 C14 B:N60501 4.1 49.5 1.0 O B:LEU432 4.1 50.3 1.0 C29 B:N60501 4.3 49.5 1.0 O07 B:N60501 4.3 49.5 1.0 CB B:ALA431 4.3 51.5 1.0 C12 B:N60501 4.4 49.5 1.0 N09 B:N60501 4.5 49.5 1.0 C13 B:N60501 4.8 49.5 1.0 N B:LEU432 4.8 50.3 1.0 C16 B:N60501 4.9 49.5 1.0 CA B:ALA431 5.0 51.5 1.0 C24 B:N60501 5.0 49.5 1.0

Fluorine binding site 5 out of 5 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with RO4929097


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 RO4929097 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:49.5 occ:1.00 F05 B:N60501 0.0 49.5 1.0 C33 B:N60501 1.4 49.5 1.0 F04 B:N60501 2.2 49.5 1.0 F03 B:N60501 2.2 49.5 1.0 C30 B:N60501 2.3 49.5 1.0 F02 B:N60501 2.6 49.5 1.0 F01 B:N60501 2.9 49.5 1.0 C25 B:N60501 3.6 49.5 1.0 C27 B:N60501 4.1 49.5 1.0 N11 B:N60501 4.2 49.5 1.0 CG2 B:VAL272 4.5 63.6 1.0 CD1 B:ILE287 4.6 50.9 1.0 C23 B:N60501 4.6 49.5 1.0 CD2 B:LEU268 4.6 60.3 1.0 C29 B:N60501 4.9 49.5 1.0

X.Guo, Y.Wang, J.Zhou, C.Jin, J.Wang, B.Jia, D.Jing, C.Yan, J.Lei, R.Zhou, Y.Shi. Cryoem Structure of PS1-Containing Gamma-Secretase in Complex with Mrk-560 To Be Published.