Fluorine in PDB 7x21: Cryo-Em Structure of Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State

All present enzymatic activity of Cryo-Em Structure of Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State:
7.2.2.13; 7.2.2.19;

The structure of Cryo-Em Structure of Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Potassium	(K)	2 atoms
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Cryo-Em Structure of Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State (pdb code 7x21). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Cryo-Em Structure of Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State, PDB code: 7x21:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Cryo-Em Structure of Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State


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 Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1103 b:26.4 occ:1.00 F1 A:ALF1103 0.0 26.4 1.0 AL A:ALF1103 1.8 26.4 1.0 ND2 A:ASN732 2.3 29.5 1.0 F4 A:ALF1103 2.5 26.4 1.0 F3 A:ALF1103 2.5 26.4 1.0 OD1 A:ASN732 2.8 29.5 1.0 CG A:ASN732 2.9 29.5 1.0 CA A:GLY232 3.2 33.8 1.0 O A:THR231 3.4 31.8 1.0 OD1 A:ASP388 3.5 22.5 1.0 F2 A:ALF1103 3.6 26.4 1.0 OD1 A:ASP733 3.6 27.7 1.0 OD2 A:ASP388 3.7 22.5 1.0 N A:GLY232 3.7 33.8 1.0 NZ A:LYS710 3.8 24.8 1.0 CG A:ASP388 3.8 22.5 1.0 C A:THR231 3.8 31.8 1.0 MG A:MG1104 3.9 25.4 1.0 OD2 A:ASP733 4.0 27.7 1.0 CG A:ASP733 4.2 27.7 1.0 CE A:LYS710 4.2 24.8 1.0 C A:GLY232 4.3 33.8 1.0 CB A:ASN732 4.4 29.5 1.0 O A:GLY232 4.6 33.8 1.0 OE1 A:GLU233 4.7 39.7 1.0 N A:GLY630 4.8 27.0 1.0 CB A:ASP388 5.0 22.5 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State


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 Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1103 b:26.4 occ:1.00 F2 A:ALF1103 0.0 26.4 1.0 AL A:ALF1103 1.8 26.4 1.0 OD1 A:ASP388 2.3 22.5 1.0 F4 A:ALF1103 2.5 26.4 1.0 F3 A:ALF1103 2.5 26.4 1.0 OG1 A:THR629 2.7 25.1 1.0 N A:THR390 3.0 24.4 1.0 OE1 A:GLU233 3.0 39.7 1.0 CG A:ASP388 3.4 22.5 1.0 OG1 A:THR390 3.4 24.4 1.0 N A:LYS389 3.5 21.8 1.0 CB A:THR390 3.5 24.4 1.0 F1 A:ALF1103 3.6 26.4 1.0 CB A:THR629 3.7 25.1 1.0 OD2 A:ASP388 3.8 22.5 1.0 CA A:THR390 3.8 24.4 1.0 CB A:LYS389 3.9 21.8 1.0 C A:LYS389 3.9 21.8 1.0 CA A:LYS389 4.0 21.8 1.0 N A:GLY630 4.0 27.0 1.0 CA A:THR629 4.1 25.1 1.0 CD A:GLU233 4.2 39.7 1.0 MG A:MG1104 4.2 25.4 1.0 O A:THR390 4.3 24.4 1.0 O A:THR231 4.5 31.8 1.0 C A:ASP388 4.6 22.5 1.0 C A:THR629 4.6 25.1 1.0 C A:THR390 4.6 24.4 1.0 CB A:ASP388 4.7 22.5 1.0 OE2 A:GLU233 4.7 39.7 1.0 CE A:LYS389 4.7 21.8 1.0 N A:ASP631 4.8 37.1 1.0 CA A:ASP388 4.8 22.5 1.0 CD A:LYS389 4.9 21.8 1.0 O A:GLY232 4.9 33.8 1.0 CA A:GLY630 4.9 27.0 1.0 CG2 A:THR390 5.0 24.4 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State


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 Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1103 b:26.4 occ:1.00 F3 A:ALF1103 0.0 26.4 1.0 AL A:ALF1103 1.8 26.4 1.0 MG A:MG1104 1.9 25.4 1.0 F2 A:ALF1103 2.5 26.4 1.0 F1 A:ALF1103 2.5 26.4 1.0 OD2 A:ASP388 2.6 22.5 1.0 OD1 A:ASP388 2.8 22.5 1.0 O A:THR390 3.0 24.4 1.0 CG A:ASP388 3.0 22.5 1.0 O A:GLY232 3.5 33.8 1.0 CB A:THR390 3.5 24.4 1.0 F4 A:ALF1103 3.6 26.4 1.0 CA A:GLY232 3.6 33.8 1.0 N A:THR390 3.8 24.4 1.0 C A:THR390 3.8 24.4 1.0 CA A:THR390 3.9 24.4 1.0 C A:GLY232 3.9 33.8 1.0 OD1 A:ASP729 3.9 22.6 1.0 OE1 A:GLU233 4.0 39.7 1.0 OG1 A:THR390 4.2 24.4 1.0 CG2 A:THR390 4.5 24.4 1.0 CB A:ASP388 4.5 22.5 1.0 O A:THR231 4.6 31.8 1.0 OD2 A:ASP733 4.6 27.7 1.0 ND2 A:ASN732 4.7 29.5 1.0 N A:LYS389 4.8 21.8 1.0 N A:GLY232 4.8 33.8 1.0 C A:LYS389 4.8 21.8 1.0 OD1 A:ASN732 4.9 29.5 1.0 CD A:GLU233 4.9 39.7 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State


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 Non Gastric H,K-Atpase ALPHA2 K794A in (K+)E2-Alf State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1103 b:26.4 occ:1.00 F4 A:ALF1103 0.0 26.4 1.0 AL A:ALF1103 1.8 26.4 1.0 N A:GLY630 2.4 27.0 1.0 F2 A:ALF1103 2.5 26.4 1.0 F1 A:ALF1103 2.5 26.4 1.0 OD1 A:ASP388 3.1 22.5 1.0 C A:THR629 3.2 25.1 1.0 CA A:THR629 3.2 25.1 1.0 NZ A:LYS710 3.3 24.8 1.0 CA A:GLY630 3.3 27.0 1.0 OG1 A:THR629 3.3 25.1 1.0 O A:THR231 3.4 31.8 1.0 F3 A:ALF1103 3.6 26.4 1.0 CE A:LYS710 3.7 24.8 1.0 CB A:THR629 3.9 25.1 1.0 ND2 A:ASN732 3.9 29.5 1.0 OE1 A:GLU233 3.9 39.7 1.0 CG A:ASP388 4.1 22.5 1.0 C A:GLY630 4.2 27.0 1.0 O A:THR629 4.4 25.1 1.0 C A:THR231 4.4 31.8 1.0 O A:VAL628 4.4 20.8 1.0 N A:ASP631 4.4 37.1 1.0 N A:THR629 4.5 25.1 1.0 OD2 A:ASP388 4.7 22.5 1.0 CA A:GLY232 4.7 33.8 1.0 OD1 A:ASP733 4.8 27.7 1.0 CG A:ASN732 4.8 29.5 1.0 C A:VAL628 4.9 20.8 1.0 OD1 A:ASN732 4.9 29.5 1.0 N A:GLY232 5.0 33.8 1.0

V.C.Young, H.Nakanishi, D.J.Meyer, T.Nishizawa, A.Oshima, P.Artigas, K.Abe. Structure and Function of H + /K + Pump Mutants Reveal Na + /K + Pump Mechanisms. Nat Commun V. 13 5270 2022.
ISSN: ESSN 2041-1723
PubMed: 36085139
DOI: 10.1038/S41467-022-32793-0