Fluorine in PDB 8d3u: Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State

Enzymatic activity of Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State

All present enzymatic activity of Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State:
7.2.2.13;

Other elements in 8d3u:

The structure of Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State also contains other interesting chemical elements:

Aluminium (Al) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State (pdb code 8d3u). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State, PDB code: 8d3u:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 8d3u

Go back to Fluorine Binding Sites List in 8d3u
Fluorine binding site 1 out of 4 in the Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1102

b:56.8
occ:1.00
 F1 A:ALF1102 0.0 56.8 1.0
AL A:ALF1102 1.8 56.8 1.0
F4 A:ALF1102 2.5 56.8 1.0
F3 A:ALF1102 2.5 56.8 1.0
OD1 A:ASN710 2.7 56.8 1.0
OD2 A:ASP366 2.7 56.8 1.0
ND2 A:ASN710 2.9 56.8 1.0
CG A:ASN710 3.2 56.8 1.0
OD1 A:ASP707 3.3 57.3 1.0
F2 A:ALF1102 3.6 56.8 1.0
CG A:ASP366 3.6 56.8 1.0
N A:GLY708 3.7 57.1 1.0
O2B A:ADP1101 3.8 57.2 1.0
CA A:GLY708 3.9 57.1 1.0
OD1 A:ASP366 4.0 56.8 1.0
O3A A:ADP1101 4.4 57.2 1.0
CG A:ASP707 4.5 57.3 1.0
NZ A:LYS688 4.5 56.8 1.0
O A:THR368 4.6 56.8 1.0
CB A:ASN710 4.7 56.8 1.0
PB A:ADP1101 4.7 57.2 1.0
C A:GLY708 4.8 57.1 1.0
CB A:ASP366 4.8 56.8 1.0
N A:ASP707 4.8 57.3 1.0
OD2 A:ASP711 4.9 56.8 1.0
C A:ASP707 4.9 57.3 1.0

Fluorine binding site 2 out of 4 in 8d3u

Go back to Fluorine Binding Sites List in 8d3u
Fluorine binding site 2 out of 4 in the Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1102

b:56.8
occ:1.00
 F2 A:ALF1102 0.0 56.8 1.0
AL A:ALF1102 1.8 56.8 1.0
O2B A:ADP1101 2.1 57.2 1.0
OD1 A:ASP366 2.2 56.8 1.0
F4 A:ALF1102 2.5 56.8 1.0
F3 A:ALF1102 2.6 56.8 1.0
CG A:ASP366 3.0 56.8 1.0
O A:THR368 3.1 56.8 1.0
CG2 A:THR368 3.2 56.8 1.0
N A:THR368 3.2 56.8 1.0
O1B A:ADP1101 3.2 57.2 1.0
PB A:ADP1101 3.2 57.2 1.0
OD2 A:ASP366 3.4 56.8 1.0
F1 A:ALF1102 3.6 56.8 1.0
N A:LYS367 3.7 56.8 1.0
CA A:THR368 3.9 56.8 1.0
C A:THR368 3.9 56.8 1.0
CB A:THR368 4.1 56.8 1.0
CB A:ASP366 4.1 56.8 1.0
C A:LYS367 4.2 56.8 1.0
OG1 A:THR607 4.2 56.8 1.0
CA A:LYS367 4.2 56.8 1.0
CB A:LYS367 4.3 56.8 1.0
O3A A:ADP1101 4.3 57.2 1.0
O3B A:ADP1101 4.3 57.2 1.0
C A:ASP366 4.7 56.8 1.0
NH2 A:ARG541 4.7 58.2 1.0
CA A:ASP366 4.8 56.8 1.0
ND2 A:ASN710 5.0 56.8 1.0

Fluorine binding site 3 out of 4 in 8d3u

Go back to Fluorine Binding Sites List in 8d3u
Fluorine binding site 3 out of 4 in the Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1102

b:56.8
occ:1.00
 F3 A:ALF1102 0.0 56.8 1.0
AL A:ALF1102 1.8 56.8 1.0
O A:THR368 2.2 56.8 1.0
F1 A:ALF1102 2.5 56.8 1.0
F2 A:ALF1102 2.6 56.8 1.0
OD1 A:ASP707 2.7 57.3 1.0
O2B A:ADP1101 3.3 57.2 1.0
C A:THR368 3.3 56.8 1.0
OD2 A:ASP366 3.6 56.8 1.0
F4 A:ALF1102 3.6 56.8 1.0
CG2 A:THR368 3.6 56.8 1.0
CG A:ASP366 3.7 56.8 1.0
OD1 A:ASP366 3.7 56.8 1.0
CG A:ASP707 3.8 57.3 1.0
OD2 A:ASP707 4.1 57.3 1.0
N A:GLY369 4.2 56.8 1.0
CA A:THR368 4.2 56.8 1.0
N A:THR368 4.3 56.8 1.0
CA A:GLY369 4.3 56.8 1.0
CB A:THR368 4.5 56.8 1.0
CB A:ASP366 4.5 56.8 1.0
PB A:ADP1101 4.7 57.2 1.0
N A:GLY708 4.8 57.1 1.0
CB A:ASP707 5.0 57.3 1.0

Fluorine binding site 4 out of 4 in 8d3u

Go back to Fluorine Binding Sites List in 8d3u
Fluorine binding site 4 out of 4 in the Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human ALPHA3 Na+/K+-Atpase in Its Na+-Occluded State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1102

b:56.8
occ:1.00
 F4 A:ALF1102 0.0 56.8 1.0
AL A:ALF1102 1.8 56.8 1.0
F1 A:ALF1102 2.5 56.8 1.0
OD2 A:ASP366 2.5 56.8 1.0
F2 A:ALF1102 2.5 56.8 1.0
ND2 A:ASN710 2.6 56.8 1.0
OD1 A:ASP366 2.7 56.8 1.0
O2B A:ADP1101 2.9 57.2 1.0
CG A:ASP366 3.0 56.8 1.0
O1B A:ADP1101 3.0 57.2 1.0
NZ A:LYS688 3.2 56.8 1.0
PB A:ADP1101 3.2 57.2 1.0
O3A A:ADP1101 3.2 57.2 1.0
F3 A:ALF1102 3.6 56.8 1.0
CG A:ASN710 3.7 56.8 1.0
OD1 A:ASN710 4.0 56.8 1.0
CE A:LYS688 4.4 56.8 1.0
CB A:ASP366 4.5 56.8 1.0
N A:GLY608 4.5 56.8 1.0
O3B A:ADP1101 4.7 57.2 1.0
OG1 A:THR607 4.7 56.8 1.0
PA A:ADP1101 4.7 57.2 1.0
O1A A:ADP1101 4.9 57.2 1.0
CB A:ASN710 4.9 56.8 1.0
CA A:THR607 5.0 56.8 1.0

Reference:

P.T.Nguyen, C.Deisl, M.Fine, T.S.Tippetts, E.Uchikawa, X.C.Bai, B.Levine. Structural Basis For Gating Mechanism of the Human Sodium-Potassium Pump. Nat Commun V. 13 5293 2022.
ISSN: ESSN 2041-1723
PubMed: 36075933
DOI: 10.1038/S41467-022-32990-X
Page generated: Fri Aug 2 17:23:40 2024

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