Fluorine in PDB 7x20: Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State

Enzymatic activity of Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State

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

Protein crystallography data

The structure of Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State, PDB code: 7x20 was solved by H.Nakanishi, K.Abe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.06 / 3.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.97, 109.06, 267.67, 90, 90, 90
R / Rfree (%) 26.5 / 31.6

Other elements in 7x20:

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

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

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State (pdb code 7x20). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State, PDB code: 7x20:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7x20

Go back to Fluorine Binding Sites List in 7x20
Fluorine binding site 1 out of 4 in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 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 Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:21.5
occ:1.00
F1 A:ALF1101 0.0 21.5 1.0
AL A:ALF1101 1.8 25.1 1.0
OD2 A:ASP388 2.0 23.9 1.0
O A:THR390 2.2 25.3 1.0
F4 A:ALF1101 2.4 26.6 1.0
OD1 A:ASP729 2.4 26.0 1.0
OG1 A:THR390 2.6 28.5 1.0
F3 A:ALF1101 2.7 24.9 1.0
CG A:ASP388 3.0 23.8 1.0
C A:THR390 3.2 26.0 1.0
OD1 A:ASP388 3.3 24.1 1.0
CG A:ASP729 3.3 27.0 1.0
OD2 A:ASP729 3.5 29.9 1.0
CB A:THR390 3.5 26.8 1.0
F2 A:ALF1101 3.6 19.2 1.0
N A:THR390 3.6 26.3 1.0
CA A:THR390 3.6 26.6 1.0
O A:GLY232 4.1 35.6 1.0
CB A:ASP388 4.3 23.5 1.0
N A:GLY391 4.4 27.8 1.0
CA A:GLY232 4.4 31.9 1.0
OD2 A:ASP733 4.4 23.1 1.0
C A:LYS389 4.5 26.4 1.0
C A:GLY232 4.7 33.3 1.0
CB A:ASP729 4.7 21.1 1.0
N A:LYS389 4.8 25.3 1.0
CG2 A:THR390 4.8 27.7 1.0
CA A:GLY391 4.9 26.2 1.0

Fluorine binding site 2 out of 4 in 7x20

Go back to Fluorine Binding Sites List in 7x20
Fluorine binding site 2 out of 4 in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 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 Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:19.2
occ:1.00
F2 A:ALF1101 0.0 19.2 1.0
AL A:ALF1101 1.8 25.1 1.0
OD1 A:ASP388 2.4 24.1 1.0
F3 A:ALF1101 2.4 24.9 1.0
OG1 A:THR629 2.4 24.0 1.0
F4 A:ALF1101 2.7 26.6 1.0
O A:THR231 3.1 27.4 1.0
N A:GLY630 3.2 23.7 1.0
ND2 A:ASN732 3.4 23.0 1.0
CG A:ASP388 3.4 23.8 1.0
CB A:THR629 3.4 24.2 1.0
CA A:THR629 3.6 24.5 1.0
F1 A:ALF1101 3.6 21.5 1.0
OD2 A:ASP388 3.8 23.9 1.0
C A:THR629 3.9 24.0 1.0
OG1 A:THR390 4.0 28.5 1.0
C A:THR231 4.2 28.5 1.0
CA A:GLY630 4.2 24.1 1.0
OE2 A:GLU233 4.3 34.7 1.0
CG A:ASN732 4.4 22.9 1.0
NZ A:LYS710 4.5 20.2 1.0
CA A:GLY232 4.5 31.9 1.0
CE A:LYS710 4.5 19.9 1.0
OD1 A:ASN732 4.7 24.9 1.0
CB A:ASP388 4.7 23.5 1.0
O A:VAL628 4.8 22.2 1.0
N A:GLY232 4.8 28.8 1.0
N A:LYS389 4.8 25.3 1.0
CG2 A:THR629 4.8 25.5 1.0
N A:THR629 4.9 23.8 1.0

Fluorine binding site 3 out of 4 in 7x20

Go back to Fluorine Binding Sites List in 7x20
Fluorine binding site 3 out of 4 in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 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 Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:24.9
occ:1.00
F3 A:ALF1101 0.0 24.9 1.0
AL A:ALF1101 1.8 25.1 1.0
OD1 A:ASP388 2.3 24.1 1.0
F2 A:ALF1101 2.4 19.2 1.0
OG1 A:THR390 2.4 28.5 1.0
OG1 A:THR629 2.6 24.0 1.0
F1 A:ALF1101 2.7 21.5 1.0
N A:THR390 2.7 26.3 1.0
CG A:ASP388 2.8 23.8 1.0
OD2 A:ASP388 2.9 23.9 1.0
N A:LYS389 3.1 25.3 1.0
CG A:LYS389 3.3 27.3 1.0
CB A:THR629 3.5 24.2 1.0
C A:LYS389 3.5 26.4 1.0
CB A:THR390 3.5 26.8 1.0
CA A:THR390 3.6 26.6 1.0
F4 A:ALF1101 3.6 26.6 1.0
CA A:LYS389 3.6 26.2 1.0
O A:THR390 3.7 25.3 1.0
CB A:LYS389 3.9 27.1 1.0
C A:ASP388 4.0 24.7 1.0
OE2 A:GLU233 4.0 34.7 1.0
CB A:ASP388 4.1 23.5 1.0
C A:THR390 4.1 26.0 1.0
CG2 A:THR390 4.1 27.7 1.0
CA A:ASP388 4.3 23.9 1.0
CA A:THR629 4.4 24.5 1.0
O A:LYS389 4.6 26.9 1.0
CG2 A:THR629 4.6 25.5 1.0
CD A:LYS389 4.7 31.7 1.0
O A:THR231 4.7 27.4 1.0
N A:GLY630 4.8 23.7 1.0
OD1 A:ASP729 4.9 26.0 1.0

Fluorine binding site 4 out of 4 in 7x20

Go back to Fluorine Binding Sites List in 7x20
Fluorine binding site 4 out of 4 in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 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 Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:26.6
occ:1.00
F4 A:ALF1101 0.0 26.6 1.0
AL A:ALF1101 1.8 25.1 1.0
F1 A:ALF1101 2.4 21.5 1.0
F2 A:ALF1101 2.7 19.2 1.0
ND2 A:ASN732 3.0 23.0 1.0
OD1 A:ASN732 3.1 24.9 1.0
CA A:GLY232 3.1 31.9 1.0
OD2 A:ASP388 3.1 23.9 1.0
OD1 A:ASP388 3.3 24.1 1.0
CG A:ASN732 3.4 22.9 1.0
OD1 A:ASP729 3.5 26.0 1.0
O A:THR231 3.5 27.4 1.0
CG A:ASP388 3.5 23.8 1.0
F3 A:ALF1101 3.6 24.9 1.0
OD2 A:ASP733 3.6 23.1 1.0
N A:GLY232 3.9 28.8 1.0
C A:THR231 4.0 28.5 1.0
OG1 A:THR390 4.1 28.5 1.0
C A:GLY232 4.1 33.3 1.0
O A:GLY232 4.2 35.6 1.0
CG A:ASP733 4.5 23.2 1.0
CG A:ASP729 4.6 27.0 1.0
O A:THR390 4.6 25.3 1.0
CA A:GLY730 4.7 20.8 1.0
OD1 A:ASP733 4.8 23.9 1.0
N A:GLY730 4.8 20.8 1.0
CB A:ASN732 4.9 23.4 1.0
OD2 A:ASP729 4.9 29.9 1.0
OG1 A:THR629 5.0 24.0 1.0
CB A:ASP388 5.0 23.5 1.0

Reference:

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
Page generated: Fri Aug 2 15:01:16 2024

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