Fluorine in PDB 8sgi: Cryo-Em Structure of Human NCX1 in Complex with SEA0400

The structure of Cryo-Em Structure of Human NCX1 in Complex with SEA0400 also contains other interesting chemical elements:

Calcium	(Ca)	6 atoms
Sodium	(Na)	3 atoms

The binding sites of Fluorine atom in the Cryo-Em Structure of Human NCX1 in Complex with SEA0400 (pdb code 8sgi). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Cryo-Em Structure of Human NCX1 in Complex with SEA0400, PDB code: 8sgi:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Cryo-Em Structure of Human NCX1 in Complex with SEA0400


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 NCX1 in Complex with SEA0400 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:39.8 occ:1.00 F01 A:EKY1001 0.0 39.8 1.0 C21 A:EKY1001 1.3 39.8 1.0 C24 A:EKY1001 2.4 39.8 1.0 C09 A:EKY1001 2.4 39.8 1.0 C07 A:EKY1001 2.8 39.8 1.0 CG1 A:VAL168 3.2 46.2 1.0 C26 A:EKY1001 3.6 39.8 1.0 C22 A:EKY1001 3.6 39.8 1.0 CB A:VAL168 3.7 46.2 1.0 CG2 A:VAL99 4.0 37.8 1.0 CB A:HIS165 4.0 52.0 1.0 C23 A:EKY1001 4.1 39.8 1.0 CD2 A:LEU222 4.1 54.4 1.0 O03 A:EKY1001 4.2 39.8 1.0 CB A:ASP829 4.3 43.9 1.0 CG2 A:VAL168 4.3 46.2 1.0 CD2 A:HIS165 4.4 52.0 1.0 CG A:HIS165 4.4 52.0 1.0 CG A:ASP829 4.7 43.9 1.0 O A:HIS165 4.7 52.0 1.0 OD1 A:ASP829 4.8 43.9 1.0 C16 A:EKY1001 4.9 39.8 1.0 CD1 A:LEU222 4.9 54.4 1.0 CG A:LEU222 5.0 54.4 1.0

Fluorine binding site 2 out of 2 in the Cryo-Em Structure of Human NCX1 in Complex with SEA0400


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 NCX1 in Complex with SEA0400 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:39.8 occ:1.00 F02 A:EKY1001 0.0 39.8 1.0 C23 A:EKY1001 1.3 39.8 1.0 C26 A:EKY1001 2.4 39.8 1.0 C22 A:EKY1001 2.4 39.8 1.0 CD1 A:LEU102 3.3 31.4 1.0 CG A:GLU97 3.5 37.1 1.0 C24 A:EKY1001 3.6 39.8 1.0 C09 A:EKY1001 3.6 39.8 1.0 OE2 A:GLU97 3.7 37.1 1.0 CD A:GLU97 3.9 37.1 1.0 CB A:ALA830 4.0 36.8 1.0 O A:GLU97 4.1 37.1 1.0 C21 A:EKY1001 4.1 39.8 1.0 N A:ALA830 4.3 36.8 1.0 CA A:ALA830 4.3 36.8 1.0 CB A:ASP829 4.5 43.9 1.0 C A:GLU97 4.6 37.1 1.0 CG A:LEU102 4.6 31.4 1.0 CB A:GLU97 4.8 37.1 1.0 C A:ASP829 4.8 43.9 1.0 C07 A:EKY1001 4.9 39.8 1.0 O03 A:EKY1001 4.9 39.8 1.0 OE1 A:GLU97 4.9 37.1 1.0 C A:THR98 4.9 37.4 1.0 O A:THR98 5.0 37.4 1.0

J.Xue, Y.Han, W.Zeng, Y.Jiang. Structural Mechanisms of Human Cardiac Sodium Calcium Exchanger NCX1 To Be Published.