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

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

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Ncc (Class 2) (pdb code 8fhn). 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 2), PDB code: 8fhn:
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 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 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1102 b:22.0 occ:1.00 F05 A:XZF1102 0.0 22.0 1.0 C25 A:XZF1102 1.4 22.0 1.0 F06 A:XZF1102 2.2 22.0 1.0 F07 A:XZF1102 2.2 22.0 1.0 C24 A:XZF1102 2.4 22.0 1.0 S03 A:XZF1102 3.0 22.0 1.0 C18 A:XZF1102 3.0 22.0 1.0 CE A:MET233 3.2 23.9 1.0 O09 A:XZF1102 3.7 22.0 1.0 CG2 A:ILE532 4.1 23.6 1.0 C15 A:XZF1102 4.2 22.0 1.0 N12 A:XZF1102 4.2 22.0 1.0 S02 A:XZF1102 4.6 22.0 1.0 CE2 A:PHE536 4.6 21.2 1.0 C19 A:XZF1102 4.7 22.0 1.0 CB A:ILE532 4.8 23.6 1.0 CD2 A:PHE536 4.8 21.2 1.0 SD A:MET233 4.8 23.9 1.0 N A:SER533 4.8 23.6 1.0 CA A:SER533 4.8 23.6 1.0 CB A:SER533 4.9 23.6 1.0

Fluorine binding site 2 out of 6 in the Cryo-Em Structure of Human Ncc (Class 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 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1102 b:22.0 occ:1.00 F06 A:XZF1102 0.0 22.0 1.0 C25 A:XZF1102 1.4 22.0 1.0 F05 A:XZF1102 2.2 22.0 1.0 F07 A:XZF1102 2.2 22.0 1.0 C24 A:XZF1102 2.3 22.0 1.0 S03 A:XZF1102 3.0 22.0 1.0 CB A:SER533 3.8 23.6 1.0 CE A:MET233 3.8 23.9 1.0 O A:ALA529 3.9 29.0 1.0 C18 A:XZF1102 4.1 22.0 1.0 CB A:ALA529 4.2 29.0 1.0 CA A:SER533 4.4 23.6 1.0 N A:SER533 4.5 23.6 1.0 CA A:ALA529 4.5 29.0 1.0 C A:ALA529 4.6 29.0 1.0 OG A:SER533 4.7 23.6 1.0 SD A:MET233 4.8 23.9 1.0

Fluorine binding site 3 out of 6 in the Cryo-Em Structure of Human Ncc (Class 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 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1102 b:22.0 occ:1.00 F07 A:XZF1102 0.0 22.0 1.0 C25 A:XZF1102 1.4 22.0 1.0 F05 A:XZF1102 2.2 22.0 1.0 F06 A:XZF1102 2.2 22.0 1.0 C24 A:XZF1102 2.3 22.0 1.0 CE A:MET233 3.1 23.9 1.0 S03 A:XZF1102 3.9 22.0 1.0 SD A:MET233 4.2 23.9 1.0 CB A:MET233 4.4 23.9 1.0 CE1 A:HIS234 4.6 22.2 1.0 C18 A:XZF1102 4.6 22.0 1.0 NE2 A:HIS234 4.8 22.2 1.0 C19 A:XZF1102 5.0 22.0 1.0 CG A:MET233 5.0 23.9 1.0

Fluorine binding site 4 out of 6 in the Cryo-Em Structure of Human Ncc (Class 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 2) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1102 b:33.0 occ:1.00 F05 B:XZF1102 0.0 33.0 1.0 C25 B:XZF1102 1.4 33.0 1.0 F07 B:XZF1102 2.2 33.0 1.0 F06 B:XZF1102 2.2 33.0 1.0 C24 B:XZF1102 2.3 33.0 1.0 S03 B:XZF1102 2.7 33.0 1.0 C18 B:XZF1102 3.5 33.0 1.0 O09 B:XZF1102 4.1 33.0 1.0 N12 B:XZF1102 4.2 33.0 1.0 NE2 B:HIS234 4.3 35.7 1.0 CE1 B:HIS234 4.3 35.7 1.0 CE B:MET233 4.3 39.0 1.0 C19 B:XZF1102 4.3 33.0 1.0 C15 B:XZF1102 4.5 33.0 1.0 SD B:MET233 4.5 39.0 1.0 S02 B:XZF1102 4.8 33.0 1.0 CB B:MET233 4.8 39.0 1.0

Fluorine binding site 5 out of 6 in the Cryo-Em Structure of Human Ncc (Class 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 2) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1102 b:33.0 occ:1.00 F06 B:XZF1102 0.0 33.0 1.0 C25 B:XZF1102 1.4 33.0 1.0 F07 B:XZF1102 2.2 33.0 1.0 F05 B:XZF1102 2.2 33.0 1.0 C24 B:XZF1102 2.4 33.0 1.0 C18 B:XZF1102 3.1 33.0 1.0 S03 B:XZF1102 3.2 33.0 1.0 O09 B:XZF1102 3.6 33.0 1.0 CE2 B:PHE536 3.8 28.5 1.0 CG2 B:ILE532 3.9 29.3 1.0 CD2 B:PHE536 4.3 28.5 1.0 O B:ILE532 4.3 29.3 1.0 CB B:ILE532 4.3 29.3 1.0 C B:ILE532 4.3 29.3 1.0 N B:SER533 4.3 30.4 1.0 C15 B:XZF1102 4.4 33.0 1.0 CA B:SER533 4.4 30.4 1.0 SD B:MET233 4.5 39.0 1.0 N12 B:XZF1102 4.6 33.0 1.0 CB B:SER533 4.6 30.4 1.0 S02 B:XZF1102 4.7 33.0 1.0 CZ B:PHE536 4.8 28.5 1.0 CE B:MET233 4.9 39.0 1.0 O B:ALA529 4.9 37.7 1.0 CA B:ILE532 5.0 29.3 1.0

Fluorine binding site 6 out of 6 in the Cryo-Em Structure of Human Ncc (Class 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 2) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1102 b:33.0 occ:1.00 F07 B:XZF1102 0.0 33.0 1.0 C25 B:XZF1102 1.4 33.0 1.0 F06 B:XZF1102 2.2 33.0 1.0 F05 B:XZF1102 2.2 33.0 1.0 C24 B:XZF1102 2.3 33.0 1.0 CE B:MET233 3.0 39.0 1.0 SD B:MET233 3.3 39.0 1.0 O B:ALA529 3.8 37.7 1.0 S03 B:XZF1102 3.9 33.0 1.0 CA B:ALA529 4.1 37.7 1.0 CB B:ALA529 4.1 37.7 1.0 C B:ALA529 4.4 37.7 1.0 CB B:ILE532 4.5 29.3 1.0 C18 B:XZF1102 4.6 33.0 1.0 N B:SER533 4.7 30.4 1.0 CG2 B:ILE532 4.7 29.3 1.0 CB B:SER533 4.7 30.4 1.0 CG B:MET233 4.8 39.0 1.0 CB B:MET233 4.8 39.0 1.0 CA B:SER533 5.0 30.4 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