Fluorine in PDB 8kcp: Cryo-Em Structure of Human Gamma-Secretase in Complex with Crenigacestat

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Gamma-Secretase in Complex with Crenigacestat (pdb code 8kcp). 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 Human Gamma-Secretase in Complex with Crenigacestat, PDB code: 8kcp:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with Crenigacestat


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 Crenigacestat within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:141.7 occ:1.00 F01 B:N9C502 0.0 141.7 1.0 C33 B:N9C502 1.4 141.7 1.0 F02 B:N9C502 2.2 141.7 1.0 F03 B:N9C502 2.2 141.7 1.0 C32 B:N9C502 2.4 141.7 1.0 C31 B:N9C502 3.6 141.7 1.0 CG2 B:VAL272 4.3 153.8 1.0 O07 B:N9C502 4.4 141.7 1.0 C30 B:N9C502 4.4 141.7 1.0 CD1 B:LEU268 4.6 152.8 1.0 CB B:LEU268 4.6 152.8 1.0 CD2 B:LEU268 4.7 152.8 1.0 C24 B:N9C502 4.9 141.7 1.0 CD1 B:ILE287 4.9 135.0 1.0 CG B:LEU268 4.9 152.8 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of Human Gamma-Secretase in Complex with Crenigacestat


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 Crenigacestat within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:141.7 occ:1.00 F02 B:N9C502 0.0 141.7 1.0 C33 B:N9C502 1.4 141.7 1.0 F01 B:N9C502 2.2 141.7 1.0 F03 B:N9C502 2.2 141.7 1.0 C32 B:N9C502 2.4 141.7 1.0 O07 B:N9C502 2.9 141.7 1.0 C31 B:N9C502 3.0 141.7 1.0 C30 B:N9C502 3.0 141.7 1.0 C24 B:N9C502 3.4 141.7 1.0 C19 B:N9C502 3.5 141.7 1.0 N11 B:N9C502 4.1 141.7 1.0 O05 B:N9C502 4.2 141.7 1.0 CB B:ALA431 4.3 140.4 1.0 C26 B:N9C502 4.4 141.7 1.0 C21 B:N9C502 4.4 141.7 1.0 CG2 B:VAL272 4.5 153.8 1.0 C13 B:N9C502 4.6 141.7 1.0 O B:LEU432 4.7 138.2 1.0 C20 B:N9C502 4.8 141.7 1.0

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


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 Crenigacestat within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:141.7 occ:1.00 F03 B:N9C502 0.0 141.7 1.0 C33 B:N9C502 1.4 141.7 1.0 F02 B:N9C502 2.2 141.7 1.0 F01 B:N9C502 2.2 141.7 1.0 C32 B:N9C502 2.3 141.7 1.0 C31 B:N9C502 2.6 141.7 1.0 C30 B:N9C502 3.6 141.7 1.0 CG2 B:VAL261 3.6 149.4 1.0 O B:LEU432 3.8 138.2 1.0 CG1 B:VAL261 4.1 149.4 1.0 O07 B:N9C502 4.1 141.7 1.0 N11 B:N9C502 4.4 141.7 1.0 CB B:VAL261 4.5 149.4 1.0 C B:LEU432 4.5 138.2 1.0 CD1 B:LEU268 4.8 152.8 1.0 CB B:ALA431 4.8 140.4 1.0 N B:LEU432 4.9 138.2 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.