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

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

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

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


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 3-3) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:39.4 occ:1.00 F05 A:XZF1101 0.0 39.4 1.0 C25 A:XZF1101 1.4 39.4 1.0 F06 A:XZF1101 2.2 39.4 1.0 F07 A:XZF1101 2.2 39.4 1.0 C24 A:XZF1101 2.3 39.4 1.0 S03 A:XZF1101 2.6 39.4 1.0 C18 A:XZF1101 3.1 39.4 1.0 CB A:SER533 3.2 34.2 1.0 CA A:SER533 3.5 34.2 1.0 N A:SER533 3.6 34.2 1.0 O A:ALA529 3.9 41.1 1.0 OG A:SER533 4.0 34.2 1.0 C A:ILE532 4.2 35.3 1.0 CG2 A:ILE532 4.4 35.3 1.0 C15 A:XZF1101 4.5 39.4 1.0 O A:ILE532 4.6 35.3 1.0 CB A:ILE532 4.6 35.3 1.0 C A:ALA529 4.8 41.1 1.0 C A:SER533 4.9 34.2 1.0 SD A:MET233 5.0 38.1 1.0 CD2 A:PHE536 5.0 34.1 1.0

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


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 3-3) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:39.4 occ:1.00 F06 A:XZF1101 0.0 39.4 1.0 C25 A:XZF1101 1.4 39.4 1.0 F07 A:XZF1101 2.2 39.4 1.0 F05 A:XZF1101 2.2 39.4 1.0 C24 A:XZF1101 2.4 39.4 1.0 SD A:MET233 2.9 38.1 1.0 CE A:MET233 3.6 38.1 1.0 S03 A:XZF1101 3.9 39.4 1.0 O A:ALA529 4.0 41.1 1.0 CB A:ALA529 4.1 41.1 1.0 CA A:ALA529 4.1 41.1 1.0 CG2 A:ILE532 4.2 35.3 1.0 CB A:ILE532 4.3 35.3 1.0 CG A:MET233 4.4 38.1 1.0 C A:ALA529 4.5 41.1 1.0 C18 A:XZF1101 4.6 39.4 1.0 CB A:MET233 4.6 38.1 1.0 N A:SER533 4.8 34.2 1.0 CB A:SER533 5.0 34.2 1.0

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


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 3-3) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:39.4 occ:1.00 F07 A:XZF1101 0.0 39.4 1.0 C25 A:XZF1101 1.4 39.4 1.0 F06 A:XZF1101 2.2 39.4 1.0 F05 A:XZF1101 2.2 39.4 1.0 C24 A:XZF1101 2.4 39.4 1.0 C18 A:XZF1101 3.2 39.4 1.0 S03 A:XZF1101 3.3 39.4 1.0 CG2 A:ILE532 3.5 35.3 1.0 O09 A:XZF1101 3.7 39.4 1.0 SD A:MET233 3.9 38.1 1.0 CE2 A:PHE536 4.2 34.1 1.0 CB A:ILE532 4.3 35.3 1.0 C15 A:XZF1101 4.5 39.4 1.0 CA A:GLY230 4.5 34.6 1.0 CD2 A:PHE536 4.6 34.1 1.0 N12 A:XZF1101 4.7 39.4 1.0 C A:ILE532 4.7 35.3 1.0 N A:SER533 4.8 34.2 1.0 S02 A:XZF1101 4.8 39.4 1.0 O A:ILE532 4.9 35.3 1.0 CA A:SER533 4.9 34.2 1.0

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


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 3-3) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:39.6 occ:1.00 F05 B:XZF1101 0.0 39.6 1.0 C25 B:XZF1101 1.4 39.6 1.0 F06 B:XZF1101 2.2 39.6 1.0 F07 B:XZF1101 2.2 39.6 1.0 C24 B:XZF1101 2.3 39.6 1.0 S03 B:XZF1101 2.6 39.6 1.0 C18 B:XZF1101 3.1 39.6 1.0 CB B:SER533 3.2 34.0 1.0 CA B:SER533 3.5 34.0 1.0 N B:SER533 3.6 34.0 1.0 O B:ALA529 3.9 40.9 1.0 OG B:SER533 4.0 34.0 1.0 C B:ILE532 4.2 35.3 1.0 CG2 B:ILE532 4.4 35.3 1.0 C15 B:XZF1101 4.5 39.6 1.0 O B:ILE532 4.6 35.3 1.0 CB B:ILE532 4.6 35.3 1.0 C B:ALA529 4.8 40.9 1.0 C B:SER533 4.9 34.0 1.0 SD B:MET233 5.0 37.4 1.0 CD2 B:PHE536 5.0 34.2 1.0

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


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 3-3) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:39.6 occ:1.00 F06 B:XZF1101 0.0 39.6 1.0 C25 B:XZF1101 1.4 39.6 1.0 F07 B:XZF1101 2.2 39.6 1.0 F05 B:XZF1101 2.2 39.6 1.0 C24 B:XZF1101 2.4 39.6 1.0 SD B:MET233 2.9 37.4 1.0 CE B:MET233 3.6 37.4 1.0 S03 B:XZF1101 3.9 39.6 1.0 O B:ALA529 4.0 40.9 1.0 CB B:ALA529 4.1 40.9 1.0 CA B:ALA529 4.1 40.9 1.0 CG2 B:ILE532 4.2 35.3 1.0 CB B:ILE532 4.3 35.3 1.0 CG B:MET233 4.4 37.4 1.0 C B:ALA529 4.5 40.9 1.0 C18 B:XZF1101 4.6 39.6 1.0 CB B:MET233 4.6 37.4 1.0 N B:SER533 4.8 34.0 1.0 CB B:SER533 5.0 34.0 1.0

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


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 3-3) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:39.6 occ:1.00 F07 B:XZF1101 0.0 39.6 1.0 C25 B:XZF1101 1.4 39.6 1.0 F06 B:XZF1101 2.2 39.6 1.0 F05 B:XZF1101 2.2 39.6 1.0 C24 B:XZF1101 2.4 39.6 1.0 C18 B:XZF1101 3.2 39.6 1.0 S03 B:XZF1101 3.3 39.6 1.0 CG2 B:ILE532 3.5 35.3 1.0 O09 B:XZF1101 3.7 39.6 1.0 SD B:MET233 3.9 37.4 1.0 CE2 B:PHE536 4.2 34.2 1.0 CB B:ILE532 4.3 35.3 1.0 C15 B:XZF1101 4.5 39.6 1.0 CA B:GLY230 4.5 34.2 1.0 CD2 B:PHE536 4.6 34.2 1.0 N12 B:XZF1101 4.7 39.6 1.0 C B:ILE532 4.7 35.3 1.0 N B:SER533 4.8 34.0 1.0 S02 B:XZF1101 4.8 39.6 1.0 O B:ILE532 4.9 35.3 1.0 CA B:SER533 4.9 34.0 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