Fluorine in PDB 7b93: Cryo-Em Structure of Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A

All present enzymatic activity of Cryo-Em Structure of Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A:
7.1.1.2;

The structure of Cryo-Em Structure of Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Iron	(Fe)	28 atoms

The binding sites of Fluorine atom in the Cryo-Em Structure of Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A (pdb code 7b93). 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 Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A, PDB code: 7b93:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A


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 Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A within 5.0Å range: probe atom residue distance (Å) B Occ H:F403 b:47.2 occ:1.00 F1 H:T2Q403 0.0 47.2 1.0 C27 H:T2Q403 1.4 47.2 1.0 F3 H:T2Q403 2.2 47.2 1.0 F2 H:T2Q403 2.2 47.2 1.0 O5' H:T2Q403 2.2 47.2 1.0 CE1 H:PHE49 3.5 47.9 1.0 C5' H:T2Q403 3.5 47.2 1.0 CD1 H:PHE49 3.6 47.9 1.0 C6 H:T2Q403 4.2 47.2 1.0 C4' H:T2Q403 4.4 47.2 1.0 CB H:ALA18 4.5 47.2 1.0 CZ H:PHE49 4.7 47.9 1.0 O H:LEU14 4.8 47.8 1.0 CG H:PHE49 5.0 47.9 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A


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 Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A within 5.0Å range: probe atom residue distance (Å) B Occ H:F403 b:47.2 occ:1.00 F2 H:T2Q403 0.0 47.2 1.0 C27 H:T2Q403 1.4 47.2 1.0 F1 H:T2Q403 2.2 47.2 1.0 F3 H:T2Q403 2.2 47.2 1.0 O5' H:T2Q403 2.3 47.2 1.0 C6 H:T2Q403 3.0 47.2 1.0 C5' H:T2Q403 3.0 47.2 1.0 C3I B:PC1203 3.4 50.7 1.0 CE H:MET17 4.3 47.8 1.0 C1 H:T2Q403 4.3 47.2 1.0 C3H B:PC1203 4.3 50.7 1.0 C4' H:T2Q403 4.3 47.2 1.0 CB H:LEU14 4.7 47.8 1.0 C3G B:PC1203 4.8 50.7 1.0 CB H:ALA52 5.0 47.9 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A


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 Mitochondrial Complex I From Mus Musculus Inhibited By Iacs-2858 at 3.0 A within 5.0Å range: probe atom residue distance (Å) B Occ H:F403 b:47.2 occ:1.00 F3 H:T2Q403 0.0 47.2 1.0 C27 H:T2Q403 1.4 47.2 1.0 F1 H:T2Q403 2.2 47.2 1.0 F2 H:T2Q403 2.2 47.2 1.0 O5' H:T2Q403 2.3 47.2 1.0 C5' H:T2Q403 2.6 47.2 1.0 C6 H:T2Q403 3.0 47.2 1.0 CB H:ALA52 3.3 47.9 1.0 C4' H:T2Q403 3.5 47.2 1.0 C1 H:T2Q403 4.0 47.2 1.0 CD1 H:PHE49 4.0 47.9 1.0 C3I B:PC1203 4.4 50.7 1.0 C3 H:T2Q403 4.4 47.2 1.0 C3G B:PC1203 4.5 50.7 1.0 O H:PRO48 4.5 47.2 1.0 CA H:PHE49 4.6 47.9 1.0 CE1 H:PHE49 4.6 47.9 1.0 C3H B:PC1203 4.6 50.7 1.0 CAB H:T2Q403 4.6 47.2 1.0 CA H:ALA52 4.8 47.9 1.0 C H:PRO48 5.0 47.2 1.0 N H:PHE49 5.0 47.9 1.0

I.Chung, R.Serreli, J.B.Cross, M.E.Di Francesco, J.R.Marszalek, J.Hirst. Cork-in-Bottle Mechanism of Inhibitor Binding to Mammalian Complex I. Sci Adv V. 7 2021.
ISSN: ESSN 2375-2548
PubMed: 33990335
DOI: 10.1126/SCIADV.ABG4000