Fluorine in PDB 8fhq: Cryo-Em Structure of Human Ncc (Class 3-2)

The structure of Cryo-Em Structure of Human Ncc (Class 3-2) also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Ncc (Class 3-2) (pdb code 8fhq). 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 Ncc (Class 3-2), PDB code: 8fhq:
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 Ncc (Class 3-2)


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 Ncc (Class 3-2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:42.1 occ:1.00 F05 A:XZF1101 0.0 42.1 1.0 C25 A:XZF1101 1.4 42.1 1.0 F06 A:XZF1101 2.2 42.1 1.0 F07 A:XZF1101 2.2 42.1 1.0 C24 A:XZF1101 2.3 42.1 1.0 S03 A:XZF1101 2.7 42.1 1.0 C18 A:XZF1101 3.1 42.1 1.0 CB A:SER533 3.3 37.1 1.0 CA A:SER533 3.6 37.1 1.0 O A:ALA529 3.7 45.1 1.0 N A:SER533 3.7 37.1 1.0 OG A:SER533 4.1 37.1 1.0 C A:ILE532 4.4 38.7 1.0 C15 A:XZF1101 4.5 42.1 1.0 CG2 A:ILE532 4.6 38.7 1.0 C A:ALA529 4.6 45.1 1.0 CB A:ILE532 4.7 38.7 1.0 CB A:ALA529 4.8 45.1 1.0 O A:ILE532 4.8 38.7 1.0 CA A:ALA529 4.8 45.1 1.0 SD A:MET233 4.8 40.6 1.0

Fluorine binding site 2 out of 6 in the Cryo-Em Structure of Human Ncc (Class 3-2)


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 Ncc (Class 3-2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:42.1 occ:1.00 F06 A:XZF1101 0.0 42.1 1.0 C25 A:XZF1101 1.4 42.1 1.0 F07 A:XZF1101 2.2 42.1 1.0 F05 A:XZF1101 2.2 42.1 1.0 C24 A:XZF1101 2.3 42.1 1.0 SD A:MET233 2.7 40.6 1.0 CB A:ALA529 3.8 45.1 1.0 S03 A:XZF1101 3.9 42.1 1.0 CA A:ALA529 3.9 45.1 1.0 CE A:MET233 3.9 40.6 1.0 O A:ALA529 4.0 45.1 1.0 CG A:MET233 4.1 40.6 1.0 CG2 A:ILE532 4.4 38.7 1.0 CB A:ILE532 4.4 38.7 1.0 C A:ALA529 4.5 45.1 1.0 CB A:MET233 4.5 40.6 1.0 C18 A:XZF1101 4.6 42.1 1.0 N A:SER533 4.9 37.1 1.0

Fluorine binding site 3 out of 6 in the Cryo-Em Structure of Human Ncc (Class 3-2)


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 Ncc (Class 3-2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:42.1 occ:1.00 F07 A:XZF1101 0.0 42.1 1.0 C25 A:XZF1101 1.4 42.1 1.0 F06 A:XZF1101 2.2 42.1 1.0 F05 A:XZF1101 2.2 42.1 1.0 C24 A:XZF1101 2.4 42.1 1.0 C18 A:XZF1101 3.1 42.1 1.0 S03 A:XZF1101 3.3 42.1 1.0 CG2 A:ILE532 3.5 38.7 1.0 O09 A:XZF1101 3.7 42.1 1.0 SD A:MET233 3.8 40.6 1.0 CE2 A:PHE536 4.1 36.7 1.0 CB A:ILE532 4.2 38.7 1.0 C15 A:XZF1101 4.4 42.1 1.0 CD2 A:PHE536 4.5 36.7 1.0 CA A:GLY230 4.6 35.4 1.0 C A:ILE532 4.6 38.7 1.0 N A:SER533 4.6 37.1 1.0 O A:ILE532 4.8 38.7 1.0 N12 A:XZF1101 4.8 42.1 1.0 S02 A:XZF1101 4.8 42.1 1.0 CA A:SER533 4.9 37.1 1.0

Fluorine binding site 4 out of 6 in the Cryo-Em Structure of Human Ncc (Class 3-2)


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 Ncc (Class 3-2) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:42.2 occ:1.00 F05 B:XZF1101 0.0 42.2 1.0 C25 B:XZF1101 1.4 42.2 1.0 F06 B:XZF1101 2.2 42.2 1.0 F07 B:XZF1101 2.2 42.2 1.0 C24 B:XZF1101 2.3 42.2 1.0 S03 B:XZF1101 2.7 42.2 1.0 C18 B:XZF1101 3.1 42.2 1.0 CB B:SER533 3.3 37.7 1.0 CA B:SER533 3.6 37.7 1.0 O B:ALA529 3.7 46.1 1.0 N B:SER533 3.7 37.7 1.0 OG B:SER533 4.1 37.7 1.0 C B:ILE532 4.4 39.3 1.0 C15 B:XZF1101 4.5 42.2 1.0 CG2 B:ILE532 4.6 39.3 1.0 C B:ALA529 4.6 46.1 1.0 CB B:ILE532 4.7 39.3 1.0 CB B:ALA529 4.8 46.1 1.0 O B:ILE532 4.8 39.3 1.0 CA B:ALA529 4.8 46.1 1.0 SD B:MET233 4.8 41.0 1.0

Fluorine binding site 5 out of 6 in the Cryo-Em Structure of Human Ncc (Class 3-2)


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 Ncc (Class 3-2) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:42.2 occ:1.00 F06 B:XZF1101 0.0 42.2 1.0 C25 B:XZF1101 1.4 42.2 1.0 F07 B:XZF1101 2.2 42.2 1.0 F05 B:XZF1101 2.2 42.2 1.0 C24 B:XZF1101 2.3 42.2 1.0 SD B:MET233 2.7 41.0 1.0 CB B:ALA529 3.8 46.1 1.0 S03 B:XZF1101 3.9 42.2 1.0 CA B:ALA529 3.9 46.1 1.0 CE B:MET233 3.9 41.0 1.0 O B:ALA529 4.0 46.1 1.0 CG B:MET233 4.1 41.0 1.0 CG2 B:ILE532 4.4 39.3 1.0 CB B:ILE532 4.4 39.3 1.0 C B:ALA529 4.5 46.1 1.0 CB B:MET233 4.5 41.0 1.0 C18 B:XZF1101 4.6 42.2 1.0 N B:SER533 4.9 37.7 1.0

Fluorine binding site 6 out of 6 in the Cryo-Em Structure of Human Ncc (Class 3-2)


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 Ncc (Class 3-2) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:42.2 occ:1.00 F07 B:XZF1101 0.0 42.2 1.0 C25 B:XZF1101 1.4 42.2 1.0 F06 B:XZF1101 2.2 42.2 1.0 F05 B:XZF1101 2.2 42.2 1.0 C24 B:XZF1101 2.4 42.2 1.0 C18 B:XZF1101 3.1 42.2 1.0 S03 B:XZF1101 3.3 42.2 1.0 CG2 B:ILE532 3.5 39.3 1.0 O09 B:XZF1101 3.7 42.2 1.0 SD B:MET233 3.8 41.0 1.0 CE2 B:PHE536 4.1 36.8 1.0 CB B:ILE532 4.2 39.3 1.0 C15 B:XZF1101 4.4 42.2 1.0 CD2 B:PHE536 4.5 36.8 1.0 CA B:GLY230 4.6 35.7 1.0 C B:ILE532 4.6 39.3 1.0 N B:SER533 4.7 37.7 1.0 O B:ILE532 4.8 39.3 1.0 N12 B:XZF1101 4.8 42.2 1.0 S02 B:XZF1101 4.8 42.2 1.0 CA B:SER533 4.9 37.7 1.0

M.Fan, J.Zhang, C.Lee, J.Zhang, L.Feng. Structure and Thiazide Inhibition Mechanism of the Human Na-Cl Cotransporter Nature 2023.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-023-05718-0