Fluorine in PDB 8ien: Cryo-Em Structure of ATP13A2 in the E2-Pi State

Other elements in 8ien:

The structure of Cryo-Em Structure of ATP13A2 in the E2-Pi State also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Aluminium (Al) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Cryo-Em Structure of ATP13A2 in the E2-Pi State (pdb code 8ien). 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 ATP13A2 in the E2-Pi State, PDB code: 8ien:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 8ien

Go back to Fluorine Binding Sites List in 8ien
Fluorine binding site 1 out of 4 in the Cryo-Em Structure of ATP13A2 in the E2-Pi 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 ATP13A2 in the E2-Pi State within 5.0Å range:
probe atom residue distance (Å) B Occ
P:F1202

b:30.2
occ:1.00
 F1 P:ALF1202 0.0 30.2 1.0
AL P:ALF1202 1.8 30.2 1.0
MG P:MG1201 2.2 32.2 1.0
F4 P:ALF1202 2.5 30.2 1.0
F3 P:ALF1202 2.5 30.2 1.0
OD2 P:ASP513 2.9 31.2 1.0
CA P:GLY347 3.3 35.9 1.0
CB P:THR515 3.4 31.8 1.0
O P:GLY347 3.4 35.9 1.0
O P:THR346 3.6 36.5 1.0
F2 P:ALF1202 3.6 30.2 1.0
C P:GLY347 3.7 35.9 1.0
O P:THR515 3.7 31.8 1.0
OE1 P:GLU348 3.7 38.0 1.0
CG P:ASP513 3.9 31.2 1.0
OG1 P:THR515 4.0 31.8 1.0
OD1 P:ASN881 4.0 33.6 1.0
CG2 P:THR515 4.1 31.8 1.0
OD1 P:ASP513 4.2 31.2 1.0
CA P:THR515 4.2 31.8 1.0
ND2 P:ASN881 4.2 33.6 1.0
N P:THR515 4.3 31.8 1.0
N P:GLY347 4.3 35.9 1.0
C P:THR515 4.3 31.8 1.0
C P:THR346 4.4 36.5 1.0
CD P:GLU348 4.4 38.0 1.0
CG P:ASN881 4.5 33.6 1.0
OE2 P:GLU348 4.7 38.0 1.0
N P:GLU348 4.8 38.0 1.0

Fluorine binding site 2 out of 4 in 8ien

Go back to Fluorine Binding Sites List in 8ien
Fluorine binding site 2 out of 4 in the Cryo-Em Structure of ATP13A2 in the E2-Pi 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 ATP13A2 in the E2-Pi State within 5.0Å range:
probe atom residue distance (Å) B Occ
P:F1202

b:30.2
occ:1.00
 F2 P:ALF1202 0.0 30.2 1.0
AL P:ALF1202 1.8 30.2 1.0
OD1 P:ASP513 2.5 31.2 1.0
F4 P:ALF1202 2.5 30.2 1.0
F3 P:ALF1202 2.5 30.2 1.0
NZ P:LYS859 3.2 33.9 1.0
N P:GLY751 3.2 34.9 1.0
CA P:THR750 3.4 31.6 1.0
CG P:ASP513 3.4 31.2 1.0
OD2 P:ASP513 3.5 31.2 1.0
F1 P:ALF1202 3.6 30.2 1.0
C P:THR750 3.6 31.6 1.0
ND2 P:ASN881 3.6 33.6 1.0
O P:VAL749 3.6 25.7 1.0
O P:THR346 3.9 36.5 1.0
CA P:GLY751 4.2 34.9 1.0
OG1 P:THR750 4.2 31.6 1.0
N P:THR750 4.3 31.6 1.0
CB P:THR750 4.3 31.6 1.0
CE P:LYS859 4.3 33.9 1.0
C P:VAL749 4.3 25.7 1.0
O P:THR750 4.6 31.6 1.0
CG P:ASN881 4.8 33.6 1.0
CB P:ASP513 4.8 31.2 1.0
MG P:MG1201 4.8 32.2 1.0

Fluorine binding site 3 out of 4 in 8ien

Go back to Fluorine Binding Sites List in 8ien
Fluorine binding site 3 out of 4 in the Cryo-Em Structure of ATP13A2 in the E2-Pi 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 ATP13A2 in the E2-Pi State within 5.0Å range:
probe atom residue distance (Å) B Occ
P:F1202

b:30.2
occ:1.00
 F3 P:ALF1202 0.0 30.2 1.0
AL P:ALF1202 1.8 30.2 1.0
F2 P:ALF1202 2.5 30.2 1.0
F1 P:ALF1202 2.5 30.2 1.0
OE1 P:GLU348 2.8 38.0 1.0
OD2 P:ASP513 3.6 31.2 1.0
O P:THR346 3.6 36.5 1.0
OG1 P:THR750 3.6 31.6 1.0
F4 P:ALF1202 3.6 30.2 1.0
CD P:GLU348 3.7 38.0 1.0
OG1 P:THR515 3.7 31.8 1.0
N P:GLY751 3.7 34.9 1.0
OE2 P:GLU348 3.8 38.0 1.0
CB P:THR515 3.9 31.8 1.0
OD1 P:ASP513 4.0 31.2 1.0
N P:THR515 4.0 31.8 1.0
CG P:ASP513 4.1 31.2 1.0
MG P:MG1201 4.3 32.2 1.0
CA P:THR750 4.3 31.6 1.0
CB P:THR750 4.4 31.6 1.0
CA P:GLY751 4.5 34.9 1.0
C P:THR750 4.6 31.6 1.0
CA P:THR515 4.6 31.8 1.0
C P:THR346 4.7 36.5 1.0
CB P:LYS514 4.7 32.3 1.0
N P:LYS514 4.7 32.3 1.0
CA P:GLY347 4.8 35.9 1.0
OD2 P:ASP752 4.9 39.2 1.0
O P:GLY347 4.9 35.9 1.0
C P:GLY347 4.9 35.9 1.0
N P:ASP752 4.9 39.2 1.0
CE P:LYS514 5.0 32.3 1.0

Fluorine binding site 4 out of 4 in 8ien

Go back to Fluorine Binding Sites List in 8ien
Fluorine binding site 4 out of 4 in the Cryo-Em Structure of ATP13A2 in the E2-Pi 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 ATP13A2 in the E2-Pi State within 5.0Å range:
probe atom residue distance (Å) B Occ
P:F1202

b:30.2
occ:1.00
 F4 P:ALF1202 0.0 30.2 1.0
AL P:ALF1202 1.8 30.2 1.0
ND2 P:ASN881 2.4 33.6 1.0
F2 P:ALF1202 2.5 30.2 1.0
F1 P:ALF1202 2.5 30.2 1.0
OD1 P:ASP513 2.8 31.2 1.0
OD2 P:ASP513 2.8 31.2 1.0
MG P:MG1201 3.0 32.2 1.0
CG P:ASP513 3.1 31.2 1.0
CG P:ASN881 3.1 33.6 1.0
OD1 P:ASN881 3.1 33.6 1.0
F3 P:ALF1202 3.6 30.2 1.0
NZ P:LYS859 3.8 33.9 1.0
O P:THR346 3.9 36.5 1.0
OD2 P:ASP882 3.9 34.4 1.0
CG P:ASP882 4.0 34.4 1.0
OD1 P:ASP882 4.2 34.4 1.0
CB P:ASP882 4.4 34.4 1.0
CB P:ASP513 4.5 31.2 1.0
CA P:GLY347 4.6 35.9 1.0
CB P:ASN881 4.6 33.6 1.0
N P:ASP882 4.7 34.4 1.0
C P:THR346 4.7 36.5 1.0

Reference:

J.Mu, C.Xue, L.Fu, Z.Yu, M.Nie, M.Wu, X.Chen, K.Liu, R.Bu, Y.Huang, B.Yang, J.Han, Q.Jiang, K.C.Chan, R.Zhou, H.Li, A.Huang, Y.Wang, Z.Liu. Conformational Cycle of Human Polyamine Transporter ATP13A2. Nat Commun V. 14 1978 2023.
ISSN: ESSN 2041-1723
PubMed: 37031211
DOI: 10.1038/S41467-023-37741-0
Page generated: Fri Aug 2 20:35:19 2024

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