Fluorine in PDB 8ox6: Cryo-Em Structure of ATP8B1-CDC50A in E1P Conformation
Enzymatic activity of Cryo-Em Structure of ATP8B1-CDC50A in E1P Conformation
All present enzymatic activity of Cryo-Em Structure of ATP8B1-CDC50A in E1P Conformation:
7.6.2.1;
Other elements in 8ox6:
The structure of Cryo-Em Structure of ATP8B1-CDC50A in E1P Conformation also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Cryo-Em Structure of ATP8B1-CDC50A in E1P Conformation
(pdb code 8ox6). 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 ATP8B1-CDC50A in E1P Conformation, PDB code: 8ox6:
Jump to Fluorine binding site number:
1;
2;
3;
4;
Fluorine binding site 1 out
of 4 in 8ox6
Go back to
Fluorine Binding Sites List in 8ox6
Fluorine binding site 1 out
of 4 in the Cryo-Em Structure of ATP8B1-CDC50A in E1P Conformation
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 ATP8B1-CDC50A in E1P Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:90.5
occ:1.00
|
F1
|
A:ALF1202
|
0.0
|
90.5
|
1.0
|
AL
|
A:ALF1202
|
1.8
|
90.5
|
1.0
|
F4
|
A:ALF1202
|
2.5
|
90.5
|
1.0
|
F3
|
A:ALF1202
|
2.5
|
90.5
|
1.0
|
OG1
|
A:THR732
|
2.7
|
92.1
|
1.0
|
NZ
|
A:LYS873
|
2.8
|
86.1
|
1.0
|
OD1
|
A:ASP454
|
3.0
|
82.7
|
1.0
|
ND2
|
A:ASN896
|
3.2
|
84.0
|
1.0
|
CB
|
A:THR732
|
3.3
|
92.1
|
1.0
|
CE
|
A:LYS873
|
3.4
|
86.1
|
1.0
|
CA
|
A:THR732
|
3.5
|
92.1
|
1.0
|
F2
|
A:ALF1202
|
3.6
|
90.5
|
1.0
|
CG
|
A:ASP454
|
3.6
|
82.7
|
1.0
|
O
|
A:LEU731
|
3.9
|
86.9
|
1.0
|
OD2
|
A:ASP454
|
3.9
|
82.7
|
1.0
|
N
|
A:GLY733
|
4.4
|
100.3
|
1.0
|
C
|
A:THR732
|
4.5
|
92.1
|
1.0
|
CG
|
A:ASN896
|
4.5
|
84.0
|
1.0
|
OD2
|
A:ASP897
|
4.5
|
78.8
|
1.0
|
N
|
A:THR732
|
4.6
|
92.1
|
1.0
|
CB
|
A:ASP454
|
4.7
|
82.7
|
1.0
|
C
|
A:LEU731
|
4.7
|
86.9
|
1.0
|
CG2
|
A:THR732
|
4.8
|
92.1
|
1.0
|
CD
|
A:LYS873
|
4.9
|
86.1
|
1.0
|
|
Fluorine binding site 2 out
of 4 in 8ox6
Go back to
Fluorine Binding Sites List in 8ox6
Fluorine binding site 2 out
of 4 in the Cryo-Em Structure of ATP8B1-CDC50A in E1P Conformation
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 ATP8B1-CDC50A in E1P Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:90.5
occ:1.00
|
F2
|
A:ALF1202
|
0.0
|
90.5
|
1.0
|
AL
|
A:ALF1202
|
1.8
|
90.5
|
1.0
|
OD2
|
A:ASP454
|
2.1
|
82.7
|
1.0
|
MG
|
A:MG1201
|
2.2
|
83.8
|
1.0
|
F4
|
A:ALF1202
|
2.5
|
90.5
|
1.0
|
F3
|
A:ALF1202
|
2.6
|
90.5
|
1.0
|
OE2
|
A:GLU914
|
2.6
|
84.2
|
1.0
|
O
|
A:THR456
|
2.8
|
85.3
|
1.0
|
CG
|
A:ASP454
|
2.9
|
82.7
|
1.0
|
OD1
|
A:ASP454
|
3.0
|
82.7
|
1.0
|
CB
|
A:THR456
|
3.5
|
85.3
|
1.0
|
ND2
|
A:ASN896
|
3.5
|
84.0
|
1.0
|
CD
|
A:GLU914
|
3.5
|
84.2
|
1.0
|
F1
|
A:ALF1202
|
3.6
|
90.5
|
1.0
|
OE1
|
A:GLU914
|
3.7
|
84.2
|
1.0
|
C
|
A:THR456
|
3.7
|
85.3
|
1.0
|
CA
|
A:THR456
|
3.9
|
85.3
|
1.0
|
N
|
A:THR456
|
4.0
|
85.3
|
1.0
|
OD1
|
A:ASP897
|
4.2
|
78.8
|
1.0
|
CG2
|
A:THR456
|
4.2
|
85.3
|
1.0
|
OD1
|
A:ASN896
|
4.3
|
84.0
|
1.0
|
OD1
|
A:ASP893
|
4.3
|
77.0
|
1.0
|
CG
|
A:ASN896
|
4.3
|
84.0
|
1.0
|
OG1
|
A:THR732
|
4.3
|
92.1
|
1.0
|
CB
|
A:ASP454
|
4.3
|
82.7
|
1.0
|
OG1
|
A:THR456
|
4.4
|
85.3
|
1.0
|
O
|
A:ASP893
|
4.5
|
77.0
|
1.0
|
CG
|
A:GLU914
|
4.9
|
84.2
|
1.0
|
CG
|
A:ASP897
|
5.0
|
78.8
|
1.0
|
N
|
A:GLY457
|
5.0
|
79.7
|
1.0
|
NZ
|
A:LYS873
|
5.0
|
86.1
|
1.0
|
|
Fluorine binding site 3 out
of 4 in 8ox6
Go back to
Fluorine Binding Sites List in 8ox6
Fluorine binding site 3 out
of 4 in the Cryo-Em Structure of ATP8B1-CDC50A in E1P Conformation
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 ATP8B1-CDC50A in E1P Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:90.5
occ:1.00
|
F3
|
A:ALF1202
|
0.0
|
90.5
|
1.0
|
AL
|
A:ALF1202
|
1.8
|
90.5
|
1.0
|
ND2
|
A:ASN896
|
2.3
|
84.0
|
1.0
|
OD2
|
A:ASP454
|
2.3
|
82.7
|
1.0
|
F1
|
A:ALF1202
|
2.5
|
90.5
|
1.0
|
F2
|
A:ALF1202
|
2.6
|
90.5
|
1.0
|
NZ
|
A:LYS873
|
2.6
|
86.1
|
1.0
|
CG
|
A:ASP454
|
2.6
|
82.7
|
1.0
|
OD2
|
A:ASP897
|
2.8
|
78.8
|
1.0
|
OD1
|
A:ASP897
|
2.9
|
78.8
|
1.0
|
OD1
|
A:ASP454
|
3.0
|
82.7
|
1.0
|
CG
|
A:ASP897
|
3.1
|
78.8
|
1.0
|
CG
|
A:ASN896
|
3.1
|
84.0
|
1.0
|
OD1
|
A:ASN896
|
3.4
|
84.0
|
1.0
|
MG
|
A:MG1201
|
3.5
|
83.8
|
1.0
|
CB
|
A:ASP454
|
3.6
|
82.7
|
1.0
|
F4
|
A:ALF1202
|
3.6
|
90.5
|
1.0
|
CE
|
A:LYS873
|
4.0
|
86.1
|
1.0
|
O
|
A:ASP893
|
4.2
|
77.0
|
1.0
|
CB
|
A:ASN896
|
4.3
|
84.0
|
1.0
|
CB
|
A:ASP897
|
4.3
|
78.8
|
1.0
|
N
|
A:ASP897
|
4.4
|
78.8
|
1.0
|
OG1
|
A:THR732
|
4.4
|
92.1
|
1.0
|
C
|
A:ASN896
|
4.6
|
84.0
|
1.0
|
CA
|
A:ASP897
|
4.7
|
78.8
|
1.0
|
OE2
|
A:GLU914
|
4.7
|
84.2
|
1.0
|
CA
|
A:ASP454
|
4.8
|
82.7
|
1.0
|
OE1
|
A:GLU914
|
4.8
|
84.2
|
1.0
|
O
|
A:THR456
|
4.9
|
85.3
|
1.0
|
|
Fluorine binding site 4 out
of 4 in 8ox6
Go back to
Fluorine Binding Sites List in 8ox6
Fluorine binding site 4 out
of 4 in the Cryo-Em Structure of ATP8B1-CDC50A in E1P Conformation
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 ATP8B1-CDC50A in E1P Conformation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1202
b:90.5
occ:1.00
|
F4
|
A:ALF1202
|
0.0
|
90.5
|
1.0
|
AL
|
A:ALF1202
|
1.8
|
90.5
|
1.0
|
F1
|
A:ALF1202
|
2.5
|
90.5
|
1.0
|
OG1
|
A:THR732
|
2.5
|
92.1
|
1.0
|
F2
|
A:ALF1202
|
2.5
|
90.5
|
1.0
|
OD1
|
A:ASP454
|
3.0
|
82.7
|
1.0
|
CB
|
A:THR456
|
3.6
|
85.3
|
1.0
|
F3
|
A:ALF1202
|
3.6
|
90.5
|
1.0
|
OG1
|
A:THR456
|
3.6
|
85.3
|
1.0
|
CG
|
A:ASP454
|
3.8
|
82.7
|
1.0
|
OD2
|
A:ASP454
|
3.8
|
82.7
|
1.0
|
CB
|
A:THR732
|
3.9
|
92.1
|
1.0
|
N
|
A:THR456
|
4.0
|
85.3
|
1.0
|
ND2
|
A:ASN896
|
4.2
|
84.0
|
1.0
|
N
|
A:GLY733
|
4.2
|
100.3
|
1.0
|
CA
|
A:THR456
|
4.4
|
85.3
|
1.0
|
CA
|
A:THR732
|
4.6
|
92.1
|
1.0
|
O
|
A:THR456
|
4.6
|
85.3
|
1.0
|
OE2
|
A:GLU914
|
4.7
|
84.2
|
1.0
|
MG
|
A:MG1201
|
4.7
|
83.8
|
1.0
|
CG2
|
A:THR456
|
4.7
|
85.3
|
1.0
|
N
|
A:LYS455
|
4.9
|
86.3
|
1.0
|
CG2
|
A:THR732
|
4.9
|
92.1
|
1.0
|
C
|
A:THR732
|
4.9
|
92.1
|
1.0
|
C
|
A:THR456
|
5.0
|
85.3
|
1.0
|
|
Reference:
T.Dieudonne,
F.Kummerer,
M.J.Laursen,
C.Stock,
R.K.Flygaard,
S.Khalid,
G.Lenoir,
J.A.Lyons,
K.Lindorff-Larsen,
P.Nissen.
Activation and Substrate Specificity of the Human P4-Atpase ATP8B1. Nat Commun V. 14 7492 2023.
ISSN: ESSN 2041-1723
PubMed: 37980352
DOI: 10.1038/S41467-023-42828-9
Page generated: Fri Aug 2 21:18:50 2024
|