Fluorine in PDB 7m5y: Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride
Other elements in 7m5y:
The structure of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride
(pdb code 7m5y). 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 ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride, PDB code: 7m5y:
Jump to Fluorine binding site number:
1;
2;
3;
4;
Fluorine binding site 1 out
of 4 in 7m5y
Go back to
Fluorine Binding Sites List in 7m5y
Fluorine binding site 1 out
of 4 in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:74.4
occ:1.00
|
F1
|
A:MF41202
|
0.0
|
74.4
|
1.0
|
|
MG
|
A:MF41202
|
1.8
|
74.4
|
1.0
|
|
H
|
A:LYS514
|
1.8
|
71.4
|
1.0
|
|
H
|
A:THR515
|
2.2
|
74.4
|
1.0
|
|
OD1
|
A:ASP513
|
2.5
|
71.1
|
1.0
|
|
HB3
|
A:LYS514
|
2.6
|
71.4
|
1.0
|
|
N
|
A:LYS514
|
2.6
|
71.4
|
1.0
|
|
F2
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
F3
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
F4
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
N
|
A:THR515
|
2.9
|
74.4
|
1.0
|
|
HA
|
A:THR750
|
2.9
|
69.9
|
1.0
|
|
OG1
|
A:THR750
|
3.0
|
69.9
|
1.0
|
|
CG
|
A:ASP513
|
3.1
|
71.1
|
1.0
|
|
CB
|
A:LYS514
|
3.2
|
71.4
|
1.0
|
|
CA
|
A:LYS514
|
3.2
|
71.4
|
1.0
|
|
OD2
|
A:ASP513
|
3.3
|
71.1
|
1.0
|
|
HB2
|
A:LYS514
|
3.3
|
71.4
|
1.0
|
|
HB
|
A:THR750
|
3.4
|
69.9
|
1.0
|
|
HG1
|
A:THR750
|
3.5
|
69.9
|
1.0
|
|
H
|
A:GLY751
|
3.5
|
68.5
|
1.0
|
|
C
|
A:LYS514
|
3.5
|
71.4
|
1.0
|
|
CB
|
A:THR750
|
3.6
|
69.9
|
1.0
|
|
HA
|
A:ASP513
|
3.7
|
71.1
|
1.0
|
|
CA
|
A:THR750
|
3.7
|
69.9
|
1.0
|
|
C
|
A:ASP513
|
3.7
|
71.1
|
1.0
|
|
HB
|
A:THR515
|
3.7
|
74.4
|
1.0
|
|
CA
|
A:ASP513
|
4.0
|
71.1
|
1.0
|
|
OG1
|
A:THR515
|
4.1
|
74.4
|
1.0
|
|
CA
|
A:THR515
|
4.1
|
74.4
|
1.0
|
|
CB
|
A:ASP513
|
4.1
|
71.1
|
1.0
|
|
HA
|
A:LYS514
|
4.1
|
71.4
|
1.0
|
|
N
|
A:GLY751
|
4.1
|
68.5
|
1.0
|
|
CB
|
A:THR515
|
4.2
|
74.4
|
1.0
|
|
HE3
|
A:LYS514
|
4.2
|
71.4
|
1.0
|
|
HZ1
|
A:LYS859
|
4.3
|
71.2
|
1.0
|
|
H
|
A:ASP752
|
4.3
|
70.7
|
1.0
|
|
HG1
|
A:THR515
|
4.4
|
74.4
|
1.0
|
|
O
|
A:VAL749
|
4.4
|
69.1
|
1.0
|
|
HB2
|
A:ASP752
|
4.4
|
70.7
|
1.0
|
|
O
|
A:THR515
|
4.5
|
74.4
|
1.0
|
|
C
|
A:THR750
|
4.5
|
69.9
|
1.0
|
|
MG
|
A:MG1201
|
4.5
|
62.6
|
1.0
|
|
CG
|
A:LYS514
|
4.6
|
71.4
|
1.0
|
|
HB3
|
A:ASP513
|
4.7
|
71.1
|
1.0
|
|
O
|
A:LYS514
|
4.7
|
71.4
|
1.0
|
|
HB2
|
A:ASP513
|
4.7
|
71.1
|
1.0
|
|
HZ1
|
A:LYS514
|
4.7
|
71.4
|
1.0
|
|
O
|
A:ASP513
|
4.8
|
71.1
|
1.0
|
|
HG2
|
A:LYS514
|
4.8
|
71.4
|
1.0
|
|
C
|
A:THR515
|
4.8
|
74.4
|
1.0
|
|
N
|
A:THR750
|
4.8
|
69.9
|
1.0
|
|
OE2
|
A:GLU348
|
4.8
|
75.0
|
1.0
|
|
HA
|
A:THR515
|
4.8
|
74.4
|
1.0
|
|
HD22
|
A:ASN881
|
4.8
|
72.9
|
1.0
|
|
HA3
|
A:GLY347
|
5.0
|
72.2
|
1.0
|
|
C
|
A:VAL749
|
5.0
|
69.1
|
1.0
|
|
CE
|
A:LYS514
|
5.0
|
71.4
|
1.0
|
|
Fluorine binding site 2 out
of 4 in 7m5y
Go back to
Fluorine Binding Sites List in 7m5y
Fluorine binding site 2 out
of 4 in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:74.4
occ:1.00
|
F2
|
A:MF41202
|
0.0
|
74.4
|
1.0
|
|
MG
|
A:MF41202
|
1.8
|
74.4
|
1.0
|
|
HG1
|
A:THR515
|
2.3
|
74.4
|
1.0
|
|
OE2
|
A:GLU348
|
2.4
|
75.0
|
1.0
|
|
OG1
|
A:THR515
|
2.5
|
74.4
|
1.0
|
|
HB
|
A:THR515
|
2.6
|
74.4
|
1.0
|
|
F1
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
F3
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
F4
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
CD
|
A:GLU348
|
3.0
|
75.0
|
1.0
|
|
H
|
A:THR515
|
3.0
|
74.4
|
1.0
|
|
CB
|
A:THR515
|
3.0
|
74.4
|
1.0
|
|
HG3
|
A:GLU348
|
3.1
|
75.0
|
1.0
|
|
HB2
|
A:ASP752
|
3.3
|
70.7
|
1.0
|
|
CG
|
A:GLU348
|
3.6
|
75.0
|
1.0
|
|
HA3
|
A:GLY347
|
3.6
|
72.2
|
1.0
|
|
OE1
|
A:GLU348
|
3.8
|
75.0
|
1.0
|
|
N
|
A:THR515
|
3.8
|
74.4
|
1.0
|
|
OG1
|
A:THR750
|
3.8
|
69.9
|
1.0
|
|
O
|
A:THR346
|
3.8
|
71.2
|
1.0
|
|
O
|
A:GLY347
|
3.8
|
72.2
|
1.0
|
|
C
|
A:GLY347
|
3.9
|
72.2
|
1.0
|
|
H
|
A:GLY751
|
3.9
|
68.5
|
1.0
|
|
HB3
|
A:LYS514
|
3.9
|
71.4
|
1.0
|
|
H
|
A:ASP752
|
3.9
|
70.7
|
1.0
|
|
HG1
|
A:THR750
|
3.9
|
69.9
|
1.0
|
|
CA
|
A:THR515
|
4.0
|
74.4
|
1.0
|
|
HG21
|
A:THR515
|
4.1
|
74.4
|
1.0
|
|
HG2
|
A:GLU348
|
4.2
|
75.0
|
1.0
|
|
N
|
A:ASP752
|
4.2
|
70.7
|
1.0
|
|
CG2
|
A:THR515
|
4.2
|
74.4
|
1.0
|
|
CB
|
A:ASP752
|
4.2
|
70.7
|
1.0
|
|
HE3
|
A:LYS514
|
4.2
|
71.4
|
1.0
|
|
CA
|
A:GLY347
|
4.2
|
72.2
|
1.0
|
|
N
|
A:GLU348
|
4.3
|
75.0
|
1.0
|
|
HZ1
|
A:LYS514
|
4.3
|
71.4
|
1.0
|
|
HA
|
A:GLU348
|
4.5
|
75.0
|
1.0
|
|
N
|
A:GLY751
|
4.5
|
68.5
|
1.0
|
|
HZ3
|
A:LYS514
|
4.6
|
71.4
|
1.0
|
|
HA
|
A:ASP752
|
4.6
|
70.7
|
1.0
|
|
H
|
A:LYS514
|
4.6
|
71.4
|
1.0
|
|
CA
|
A:ASP752
|
4.6
|
70.7
|
1.0
|
|
H
|
A:GLU348
|
4.6
|
75.0
|
1.0
|
|
OD2
|
A:ASP752
|
4.6
|
70.7
|
1.0
|
|
HG22
|
A:THR515
|
4.7
|
74.4
|
1.0
|
|
HA
|
A:THR515
|
4.7
|
74.4
|
1.0
|
|
OD1
|
A:ASP513
|
4.7
|
71.1
|
1.0
|
|
C
|
A:GLY751
|
4.7
|
68.5
|
1.0
|
|
CA
|
A:GLU348
|
4.8
|
75.0
|
1.0
|
|
CG
|
A:ASP752
|
4.8
|
70.7
|
1.0
|
|
CB
|
A:GLU348
|
4.8
|
75.0
|
1.0
|
|
C
|
A:THR346
|
4.8
|
71.2
|
1.0
|
|
NZ
|
A:LYS514
|
4.8
|
71.4
|
1.0
|
|
HA3
|
A:GLY751
|
4.8
|
68.5
|
1.0
|
|
MG
|
A:MG1201
|
4.8
|
62.6
|
1.0
|
|
CB
|
A:LYS514
|
4.8
|
71.4
|
1.0
|
|
HA
|
A:THR750
|
4.9
|
69.9
|
1.0
|
|
HB3
|
A:ASP752
|
4.9
|
70.7
|
1.0
|
|
HG23
|
A:THR515
|
4.9
|
74.4
|
1.0
|
|
OD2
|
A:ASP513
|
4.9
|
71.1
|
1.0
|
|
C
|
A:LYS514
|
4.9
|
71.4
|
1.0
|
|
CA
|
A:GLY751
|
4.9
|
68.5
|
1.0
|
|
O
|
A:THR515
|
5.0
|
74.4
|
1.0
|
|
HA2
|
A:GLY347
|
5.0
|
72.2
|
1.0
|
|
CE
|
A:LYS514
|
5.0
|
71.4
|
1.0
|
|
Fluorine binding site 3 out
of 4 in 7m5y
Go back to
Fluorine Binding Sites List in 7m5y
Fluorine binding site 3 out
of 4 in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:74.4
occ:1.00
|
F3
|
A:MF41202
|
0.0
|
74.4
|
1.0
|
|
MG
|
A:MF41202
|
1.8
|
74.4
|
1.0
|
|
H
|
A:GLY751
|
1.9
|
68.5
|
1.0
|
|
O
|
A:THR346
|
2.7
|
71.2
|
1.0
|
|
N
|
A:GLY751
|
2.7
|
68.5
|
1.0
|
|
HD22
|
A:ASN881
|
2.7
|
72.9
|
1.0
|
|
F4
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
F1
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
F2
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
HA3
|
A:GLY347
|
3.0
|
72.2
|
1.0
|
|
HA3
|
A:GLY751
|
3.1
|
68.5
|
1.0
|
|
HZ1
|
A:LYS859
|
3.1
|
71.2
|
1.0
|
|
OD1
|
A:ASP513
|
3.2
|
71.1
|
1.0
|
|
HA
|
A:THR750
|
3.3
|
69.9
|
1.0
|
|
ND2
|
A:ASN881
|
3.3
|
72.9
|
1.0
|
|
CA
|
A:GLY751
|
3.4
|
68.5
|
1.0
|
|
HD21
|
A:ASN881
|
3.4
|
72.9
|
1.0
|
|
C
|
A:THR346
|
3.7
|
71.2
|
1.0
|
|
C
|
A:THR750
|
3.8
|
69.9
|
1.0
|
|
OG1
|
A:THR750
|
3.8
|
69.9
|
1.0
|
|
CA
|
A:GLY347
|
3.9
|
72.2
|
1.0
|
|
H
|
A:ASP752
|
3.9
|
70.7
|
1.0
|
|
NZ
|
A:LYS859
|
3.9
|
71.2
|
1.0
|
|
HZ2
|
A:LYS859
|
4.0
|
71.2
|
1.0
|
|
CA
|
A:THR750
|
4.0
|
69.9
|
1.0
|
|
OE2
|
A:GLU348
|
4.0
|
75.0
|
1.0
|
|
C
|
A:GLY751
|
4.1
|
68.5
|
1.0
|
|
N
|
A:ASP752
|
4.2
|
70.7
|
1.0
|
|
N
|
A:GLY347
|
4.2
|
72.2
|
1.0
|
|
HA2
|
A:GLY751
|
4.2
|
68.5
|
1.0
|
|
CG
|
A:ASP513
|
4.3
|
71.1
|
1.0
|
|
HZ3
|
A:LYS859
|
4.4
|
71.2
|
1.0
|
|
HA2
|
A:GLY347
|
4.5
|
72.2
|
1.0
|
|
CG
|
A:ASN881
|
4.5
|
72.9
|
1.0
|
|
H
|
A:THR515
|
4.5
|
74.4
|
1.0
|
|
H
|
A:LYS514
|
4.5
|
71.4
|
1.0
|
|
HG1
|
A:THR750
|
4.5
|
69.9
|
1.0
|
|
OE1
|
A:GLU348
|
4.5
|
75.0
|
1.0
|
|
CD
|
A:GLU348
|
4.5
|
75.0
|
1.0
|
|
OD2
|
A:ASP513
|
4.5
|
71.1
|
1.0
|
|
CB
|
A:THR750
|
4.5
|
69.9
|
1.0
|
|
C
|
A:GLY347
|
4.6
|
72.2
|
1.0
|
|
HB
|
A:THR515
|
4.7
|
74.4
|
1.0
|
|
HE3
|
A:LYS859
|
4.7
|
71.2
|
1.0
|
|
HA
|
A:THR346
|
4.7
|
71.2
|
1.0
|
|
CE
|
A:LYS859
|
4.8
|
71.2
|
1.0
|
|
HB2
|
A:ASP752
|
4.9
|
70.7
|
1.0
|
|
HE2
|
A:LYS859
|
4.9
|
71.2
|
1.0
|
|
MG
|
A:MG1201
|
4.9
|
62.6
|
1.0
|
|
O
|
A:THR750
|
4.9
|
69.9
|
1.0
|
|
CA
|
A:THR346
|
4.9
|
71.2
|
1.0
|
|
OD1
|
A:ASN881
|
4.9
|
72.9
|
1.0
|
|
O
|
A:GLY347
|
4.9
|
72.2
|
1.0
|
|
HB
|
A:THR750
|
5.0
|
69.9
|
1.0
|
|
Fluorine binding site 4 out
of 4 in 7m5y
Go back to
Fluorine Binding Sites List in 7m5y
Fluorine binding site 4 out
of 4 in the Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Human ATP13A2 in the Outward-Facing E2 State Bound to Spermine and Magnesium Fluoride within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:74.4
occ:1.00
|
F4
|
A:MF41202
|
0.0
|
74.4
|
1.0
|
|
MG
|
A:MF41202
|
1.8
|
74.4
|
1.0
|
|
MG
|
A:MG1201
|
2.1
|
62.6
|
1.0
|
|
OD2
|
A:ASP513
|
2.5
|
71.1
|
1.0
|
|
HB
|
A:THR515
|
2.6
|
74.4
|
1.0
|
|
F3
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
HA3
|
A:GLY347
|
2.9
|
72.2
|
1.0
|
|
OD1
|
A:ASP513
|
2.9
|
71.1
|
1.0
|
|
F1
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
F2
|
A:MF41202
|
2.9
|
74.4
|
1.0
|
|
CG
|
A:ASP513
|
3.1
|
71.1
|
1.0
|
|
H
|
A:THR515
|
3.2
|
74.4
|
1.0
|
|
O
|
A:THR515
|
3.3
|
74.4
|
1.0
|
|
CB
|
A:THR515
|
3.5
|
74.4
|
1.0
|
|
O
|
A:GLY347
|
3.6
|
72.2
|
1.0
|
|
HD22
|
A:ASN881
|
3.6
|
72.9
|
1.0
|
|
CA
|
A:GLY347
|
3.7
|
72.2
|
1.0
|
|
N
|
A:THR515
|
3.8
|
74.4
|
1.0
|
|
HA2
|
A:GLY347
|
3.9
|
72.2
|
1.0
|
|
C
|
A:GLY347
|
3.9
|
72.2
|
1.0
|
|
CA
|
A:THR515
|
4.0
|
74.4
|
1.0
|
|
C
|
A:THR515
|
4.0
|
74.4
|
1.0
|
|
OG1
|
A:THR515
|
4.1
|
74.4
|
1.0
|
|
H
|
A:LYS514
|
4.2
|
71.4
|
1.0
|
|
HG1
|
A:THR515
|
4.2
|
74.4
|
1.0
|
|
ND2
|
A:ASN881
|
4.4
|
72.9
|
1.0
|
|
HG22
|
A:THR515
|
4.4
|
74.4
|
1.0
|
|
OD1
|
A:ASP878
|
4.5
|
72.8
|
1.0
|
|
O
|
A:THR346
|
4.5
|
71.2
|
1.0
|
|
CG2
|
A:THR515
|
4.5
|
74.4
|
1.0
|
|
CB
|
A:ASP513
|
4.6
|
71.1
|
1.0
|
|
OD1
|
A:ASN881
|
4.6
|
72.9
|
1.0
|
|
H
|
A:GLY751
|
4.6
|
68.5
|
1.0
|
|
N
|
A:LYS514
|
4.7
|
71.4
|
1.0
|
|
HZ1
|
A:LYS859
|
4.8
|
71.2
|
1.0
|
|
HG21
|
A:THR515
|
4.8
|
74.4
|
1.0
|
|
C
|
A:LYS514
|
4.8
|
71.4
|
1.0
|
|
HB3
|
A:ASP513
|
4.9
|
71.1
|
1.0
|
|
N
|
A:GLY347
|
4.9
|
72.2
|
1.0
|
|
HA
|
A:THR515
|
4.9
|
74.4
|
1.0
|
|
CG
|
A:ASN881
|
4.9
|
72.9
|
1.0
|
|
HA3
|
A:GLY879
|
5.0
|
74.1
|
1.0
|
|
HD21
|
A:ASN881
|
5.0
|
72.9
|
1.0
|
|
Reference:
J.Tillinghast,
S.Drury,
D.Bowser,
A.Benn,
K.P.K.Lee.
Structural Mechanisms For Gating and Ion Selectivity of the Human Polyamine Transporter ATP13A2. Mol.Cell V. 81 4650 2021.
ISSN: ISSN 1097-2765
PubMed: 34715014
DOI: 10.1016/J.MOLCEL.2021.10.002
Page generated: Fri Aug 2 09:19:06 2024
|
