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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy