Fluorine in PDB 6mvd: Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
Enzymatic activity of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
All present enzymatic activity of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator:
2.3.1.43;
Protein crystallography data
The structure of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator, PDB code: 6mvd
was solved by
K.A.Manthei,
L.Chang,
J.J.G.Tesmer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.80 /
3.10
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
134.697,
106.377,
117.823,
90.00,
125.45,
90.00
|
R / Rfree (%)
|
19.3 /
23.9
|
Other elements in 6mvd:
The structure of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
(pdb code 6mvd). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator, PDB code: 6mvd:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 1 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
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 Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F505
b:71.0
occ:1.00
|
F34
|
A:H94505
|
0.0
|
71.0
|
1.0
|
C31
|
A:H94505
|
1.3
|
70.1
|
1.0
|
F33
|
A:H94505
|
2.1
|
70.6
|
1.0
|
F32
|
A:H94505
|
2.2
|
66.2
|
1.0
|
C2
|
A:H94505
|
2.3
|
71.8
|
1.0
|
OD2
|
A:ASP63
|
2.6
|
70.5
|
1.0
|
C3
|
A:H94505
|
2.7
|
72.0
|
1.0
|
O1
|
A:H94505
|
2.8
|
72.4
|
1.0
|
C11
|
A:H94505
|
3.5
|
74.0
|
1.0
|
CG
|
A:ASP63
|
3.6
|
68.8
|
1.0
|
CD1
|
A:TRP75
|
3.7
|
70.2
|
1.0
|
CB
|
A:MET66
|
3.8
|
68.8
|
1.0
|
N
|
A:MET66
|
4.0
|
64.5
|
1.0
|
C4
|
A:H94505
|
4.0
|
74.1
|
1.0
|
CA
|
A:MET66
|
4.0
|
66.3
|
1.0
|
CB
|
A:ASP63
|
4.2
|
65.3
|
1.0
|
O
|
A:ASP63
|
4.3
|
61.6
|
1.0
|
CB
|
A:TRP75
|
4.4
|
69.7
|
1.0
|
C
|
A:ASN65
|
4.4
|
63.5
|
1.0
|
CG
|
A:TRP75
|
4.5
|
69.3
|
1.0
|
OD1
|
A:ASP63
|
4.5
|
72.2
|
1.0
|
C10
|
A:H94505
|
4.5
|
74.3
|
1.0
|
C7
|
A:H94505
|
4.5
|
75.8
|
1.0
|
O
|
A:GLY71
|
4.6
|
65.6
|
1.0
|
N6
|
A:H94505
|
4.7
|
76.1
|
1.0
|
O
|
A:ILE60
|
4.7
|
66.4
|
1.0
|
CA
|
A:TRP75
|
4.7
|
71.5
|
1.0
|
O5
|
A:H94505
|
4.7
|
74.1
|
1.0
|
O
|
A:ASN65
|
4.7
|
65.3
|
1.0
|
C12
|
A:H94505
|
4.7
|
74.4
|
1.0
|
NE1
|
A:TRP75
|
4.8
|
70.1
|
1.0
|
CG1
|
A:ILE60
|
4.9
|
62.9
|
1.0
|
N
|
A:TRP75
|
4.9
|
72.5
|
1.0
|
CB
|
A:ASN65
|
4.9
|
62.4
|
1.0
|
|
Fluorine binding site 2 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 2 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
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 Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F505
b:66.2
occ:1.00
|
F32
|
A:H94505
|
0.0
|
66.2
|
1.0
|
C31
|
A:H94505
|
1.3
|
70.1
|
1.0
|
F33
|
A:H94505
|
2.1
|
70.6
|
1.0
|
F34
|
A:H94505
|
2.2
|
71.0
|
1.0
|
C2
|
A:H94505
|
2.4
|
71.8
|
1.0
|
C11
|
A:H94505
|
2.8
|
74.0
|
1.0
|
C3
|
A:H94505
|
3.0
|
72.0
|
1.0
|
N
|
A:TRP75
|
3.1
|
72.5
|
1.0
|
O
|
A:GLY71
|
3.2
|
65.6
|
1.0
|
C7
|
A:H94505
|
3.3
|
75.8
|
1.0
|
CA
|
A:TRP75
|
3.4
|
71.5
|
1.0
|
C4
|
A:H94505
|
3.4
|
74.1
|
1.0
|
N6
|
A:H94505
|
3.6
|
76.1
|
1.0
|
O1
|
A:H94505
|
3.6
|
72.4
|
1.0
|
C10
|
A:H94505
|
3.6
|
74.3
|
1.0
|
CB
|
A:TRP75
|
3.6
|
69.7
|
1.0
|
CB
|
A:CYS74
|
3.7
|
84.4
|
1.0
|
C
|
A:CYS74
|
3.7
|
73.7
|
1.0
|
C
|
A:GLY71
|
4.2
|
66.1
|
1.0
|
CD1
|
A:TRP75
|
4.2
|
70.2
|
1.0
|
N8
|
A:H94505
|
4.3
|
76.9
|
1.0
|
CA
|
A:CYS74
|
4.3
|
78.9
|
1.0
|
C12
|
A:H94505
|
4.3
|
74.4
|
1.0
|
O5
|
A:H94505
|
4.3
|
74.1
|
1.0
|
N9
|
A:H94505
|
4.3
|
75.3
|
1.0
|
CG
|
A:TRP75
|
4.4
|
69.3
|
1.0
|
O
|
A:CYS74
|
4.4
|
69.8
|
1.0
|
CB
|
A:MET66
|
4.6
|
68.8
|
1.0
|
OD2
|
A:ASP63
|
4.6
|
70.5
|
1.0
|
CA
|
A:GLY71
|
4.6
|
67.2
|
1.0
|
C13
|
A:H94505
|
4.7
|
74.5
|
1.0
|
CA
|
A:MET66
|
4.7
|
66.3
|
1.0
|
C
|
A:TRP75
|
4.9
|
70.9
|
1.0
|
N
|
A:CYS74
|
4.9
|
75.2
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 3 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
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 Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F505
b:70.6
occ:1.00
|
F33
|
A:H94505
|
0.0
|
70.6
|
1.0
|
C31
|
A:H94505
|
1.3
|
70.1
|
1.0
|
F34
|
A:H94505
|
2.1
|
71.0
|
1.0
|
F32
|
A:H94505
|
2.1
|
66.2
|
1.0
|
C2
|
A:H94505
|
2.4
|
71.8
|
1.0
|
O1
|
A:H94505
|
2.8
|
72.4
|
1.0
|
C11
|
A:H94505
|
2.9
|
74.0
|
1.0
|
C12
|
A:H94505
|
3.0
|
74.4
|
1.0
|
C10
|
A:H94505
|
3.1
|
74.3
|
1.0
|
O
|
A:ASN65
|
3.2
|
65.3
|
1.0
|
C
|
A:ASN65
|
3.3
|
63.5
|
1.0
|
CA
|
A:MET66
|
3.4
|
66.3
|
1.0
|
N
|
A:MET66
|
3.4
|
64.5
|
1.0
|
C13
|
A:H94505
|
3.5
|
74.5
|
1.0
|
O
|
A:GLY71
|
3.7
|
65.6
|
1.0
|
C3
|
A:H94505
|
3.7
|
72.0
|
1.0
|
OD2
|
A:ASP63
|
3.9
|
70.5
|
1.0
|
CB
|
A:MET66
|
3.9
|
68.8
|
1.0
|
CA
|
A:GLY71
|
3.9
|
67.2
|
1.0
|
C7
|
A:H94505
|
4.1
|
75.8
|
1.0
|
C
|
A:GLY71
|
4.1
|
66.1
|
1.0
|
CB
|
A:ASN65
|
4.2
|
62.4
|
1.0
|
N9
|
A:H94505
|
4.3
|
75.3
|
1.0
|
CA
|
A:ASN65
|
4.3
|
63.2
|
1.0
|
C17
|
A:H94505
|
4.4
|
75.6
|
1.0
|
C14
|
A:H94505
|
4.4
|
75.0
|
1.0
|
C4
|
A:H94505
|
4.7
|
74.1
|
1.0
|
C
|
A:MET66
|
4.7
|
66.3
|
1.0
|
CG
|
A:ASP63
|
4.8
|
68.8
|
1.0
|
N6
|
A:H94505
|
4.8
|
76.1
|
1.0
|
CB
|
A:CYS74
|
4.8
|
84.4
|
1.0
|
N8
|
A:H94505
|
4.8
|
76.9
|
1.0
|
N
|
A:TRP75
|
4.9
|
72.5
|
1.0
|
CB
|
A:TRP75
|
5.0
|
69.7
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 4 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
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 Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F505
b:75.3
occ:1.00
|
F27
|
A:H94505
|
0.0
|
75.3
|
1.0
|
C26
|
A:H94505
|
1.3
|
78.5
|
1.0
|
F28
|
A:H94505
|
2.1
|
77.3
|
1.0
|
F29
|
A:H94505
|
2.1
|
79.2
|
1.0
|
C20
|
A:H94505
|
2.4
|
79.6
|
1.0
|
O
|
A:PRO69
|
2.8
|
76.8
|
1.0
|
C19
|
A:H94505
|
2.8
|
77.8
|
1.0
|
CB
|
A:PRO69
|
3.4
|
72.2
|
1.0
|
C
|
A:PRO69
|
3.6
|
72.5
|
1.0
|
C21
|
A:H94505
|
3.7
|
78.7
|
1.0
|
CD1
|
A:LEU70
|
3.8
|
69.4
|
1.0
|
CG
|
A:PRO69
|
3.9
|
72.3
|
1.0
|
CA
|
A:PRO69
|
3.9
|
71.8
|
1.0
|
CD
|
A:PRO69
|
4.0
|
72.1
|
1.0
|
N
|
A:PRO69
|
4.1
|
72.4
|
1.0
|
C18
|
A:H94505
|
4.2
|
77.8
|
1.0
|
CG
|
A:LEU70
|
4.2
|
69.3
|
1.0
|
C24
|
A:H94505
|
4.2
|
76.2
|
1.0
|
CG
|
A:MET49
|
4.2
|
85.3
|
1.0
|
CB
|
A:LEU70
|
4.5
|
70.9
|
1.0
|
N
|
A:LEU70
|
4.7
|
71.7
|
1.0
|
SD
|
A:MET49
|
4.8
|
85.7
|
1.0
|
C22
|
A:H94505
|
4.8
|
77.7
|
1.0
|
N25
|
A:H94505
|
4.9
|
75.3
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 5 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F505
b:77.3
occ:1.00
|
F28
|
A:H94505
|
0.0
|
77.3
|
1.0
|
C26
|
A:H94505
|
1.3
|
78.5
|
1.0
|
F27
|
A:H94505
|
2.1
|
75.3
|
1.0
|
F29
|
A:H94505
|
2.2
|
79.2
|
1.0
|
C20
|
A:H94505
|
2.4
|
79.6
|
1.0
|
C24
|
A:H94505
|
2.8
|
76.2
|
1.0
|
C21
|
A:H94505
|
2.9
|
78.7
|
1.0
|
N25
|
A:H94505
|
3.1
|
75.3
|
1.0
|
C19
|
A:H94505
|
3.5
|
77.8
|
1.0
|
CG
|
A:PRO69
|
3.8
|
72.3
|
1.0
|
CD
|
A:PRO69
|
4.0
|
72.1
|
1.0
|
CB
|
A:PRO69
|
4.1
|
72.2
|
1.0
|
C22
|
A:H94505
|
4.3
|
77.7
|
1.0
|
O
|
A:PRO69
|
4.6
|
76.8
|
1.0
|
C18
|
A:H94505
|
4.7
|
77.8
|
1.0
|
N
|
A:PRO69
|
4.8
|
72.4
|
1.0
|
N23
|
A:H94505
|
5.0
|
77.3
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 6 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F505
b:79.2
occ:1.00
|
F29
|
A:H94505
|
0.0
|
79.2
|
1.0
|
C26
|
A:H94505
|
1.3
|
78.5
|
1.0
|
F27
|
A:H94505
|
2.1
|
75.3
|
1.0
|
F28
|
A:H94505
|
2.2
|
77.3
|
1.0
|
C20
|
A:H94505
|
2.3
|
79.6
|
1.0
|
C21
|
A:H94505
|
3.1
|
78.7
|
1.0
|
C24
|
A:H94505
|
3.2
|
76.2
|
1.0
|
C19
|
A:H94505
|
3.3
|
77.8
|
1.0
|
SD
|
A:MET49
|
3.6
|
85.7
|
1.0
|
N25
|
A:H94505
|
3.7
|
75.3
|
1.0
|
CG
|
A:MET49
|
3.7
|
85.3
|
1.0
|
C22
|
A:H94505
|
4.4
|
77.7
|
1.0
|
C18
|
A:H94505
|
4.5
|
77.8
|
1.0
|
CD1
|
A:LEU70
|
4.6
|
69.4
|
1.0
|
CE
|
A:MET49
|
4.6
|
83.6
|
1.0
|
O
|
A:PRO69
|
4.8
|
76.8
|
1.0
|
N23
|
A:H94505
|
4.9
|
77.3
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 7 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F504
b:71.2
occ:1.00
|
F34
|
B:H94504
|
0.0
|
71.2
|
1.0
|
C31
|
B:H94504
|
1.3
|
72.8
|
1.0
|
F32
|
B:H94504
|
2.1
|
71.5
|
1.0
|
F33
|
B:H94504
|
2.2
|
71.1
|
1.0
|
C2
|
B:H94504
|
2.3
|
74.2
|
1.0
|
OD2
|
B:ASP63
|
2.5
|
82.0
|
1.0
|
O1
|
B:H94504
|
2.7
|
76.5
|
1.0
|
C3
|
B:H94504
|
2.9
|
72.9
|
1.0
|
CA
|
B:MET66
|
3.2
|
72.1
|
1.0
|
CB
|
B:MET66
|
3.2
|
74.9
|
1.0
|
N
|
B:MET66
|
3.3
|
74.0
|
1.0
|
C11
|
B:H94504
|
3.6
|
74.6
|
1.0
|
CG
|
B:ASP63
|
3.7
|
81.9
|
1.0
|
CD1
|
B:TRP75
|
3.7
|
74.2
|
1.0
|
C
|
B:ASN65
|
3.8
|
74.3
|
1.0
|
C4
|
B:H94504
|
4.0
|
73.0
|
1.0
|
O
|
B:GLY71
|
4.1
|
61.4
|
1.0
|
O
|
B:ASN65
|
4.1
|
77.1
|
1.0
|
CB
|
B:TRP75
|
4.1
|
73.8
|
1.0
|
O
|
B:ASP63
|
4.2
|
78.0
|
1.0
|
CG
|
B:TRP75
|
4.3
|
73.1
|
1.0
|
CB
|
B:ASP63
|
4.5
|
80.2
|
1.0
|
O5
|
B:H94504
|
4.5
|
73.0
|
1.0
|
OD1
|
B:ASP63
|
4.6
|
84.8
|
1.0
|
C7
|
B:H94504
|
4.6
|
74.8
|
1.0
|
CG
|
B:MET66
|
4.6
|
76.6
|
1.0
|
C10
|
B:H94504
|
4.6
|
74.2
|
1.0
|
C
|
B:MET66
|
4.7
|
67.7
|
1.0
|
CA
|
B:TRP75
|
4.7
|
76.2
|
1.0
|
N6
|
B:H94504
|
4.7
|
73.8
|
1.0
|
CB
|
B:ASN65
|
4.8
|
73.8
|
1.0
|
CA
|
B:ASN65
|
4.8
|
74.0
|
1.0
|
C
|
B:GLY71
|
4.8
|
64.8
|
1.0
|
NE1
|
B:TRP75
|
4.8
|
74.0
|
1.0
|
N
|
B:TRP75
|
4.9
|
77.5
|
1.0
|
C12
|
B:H94504
|
4.9
|
73.0
|
1.0
|
CA
|
B:GLY71
|
5.0
|
67.0
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 8 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F504
b:71.5
occ:1.00
|
F32
|
B:H94504
|
0.0
|
71.5
|
1.0
|
C31
|
B:H94504
|
1.3
|
72.8
|
1.0
|
F34
|
B:H94504
|
2.1
|
71.2
|
1.0
|
F33
|
B:H94504
|
2.2
|
71.1
|
1.0
|
C2
|
B:H94504
|
2.4
|
74.2
|
1.0
|
C3
|
B:H94504
|
2.9
|
72.9
|
1.0
|
C11
|
B:H94504
|
2.9
|
74.6
|
1.0
|
O
|
B:GLY71
|
3.1
|
61.4
|
1.0
|
C4
|
B:H94504
|
3.1
|
73.0
|
1.0
|
N
|
B:TRP75
|
3.2
|
77.5
|
1.0
|
CA
|
B:TRP75
|
3.3
|
76.2
|
1.0
|
C7
|
B:H94504
|
3.3
|
74.8
|
1.0
|
C
|
B:CYS74
|
3.4
|
78.9
|
1.0
|
N6
|
B:H94504
|
3.4
|
73.8
|
1.0
|
CB
|
B:TRP75
|
3.4
|
73.8
|
1.0
|
O1
|
B:H94504
|
3.6
|
76.5
|
1.0
|
CB
|
B:CYS74
|
3.6
|
83.5
|
1.0
|
O
|
B:CYS74
|
3.7
|
79.8
|
1.0
|
O5
|
B:H94504
|
3.8
|
73.0
|
1.0
|
C10
|
B:H94504
|
3.9
|
74.2
|
1.0
|
CD1
|
B:TRP75
|
4.0
|
74.2
|
1.0
|
CA
|
B:CYS74
|
4.1
|
80.2
|
1.0
|
CG
|
B:TRP75
|
4.1
|
73.1
|
1.0
|
C
|
B:GLY71
|
4.2
|
64.8
|
1.0
|
OD2
|
B:ASP63
|
4.3
|
82.0
|
1.0
|
N8
|
B:H94504
|
4.4
|
78.3
|
1.0
|
CA
|
B:MET66
|
4.6
|
72.1
|
1.0
|
CA
|
B:GLY71
|
4.6
|
67.0
|
1.0
|
N9
|
B:H94504
|
4.6
|
76.8
|
1.0
|
CB
|
B:MET66
|
4.6
|
74.9
|
1.0
|
C12
|
B:H94504
|
4.7
|
73.0
|
1.0
|
N
|
B:CYS74
|
4.8
|
76.8
|
1.0
|
C
|
B:TRP75
|
4.8
|
75.3
|
1.0
|
C13
|
B:H94504
|
4.9
|
72.1
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 9 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F504
b:71.1
occ:1.00
|
F33
|
B:H94504
|
0.0
|
71.1
|
1.0
|
C31
|
B:H94504
|
1.3
|
72.8
|
1.0
|
F32
|
B:H94504
|
2.2
|
71.5
|
1.0
|
F34
|
B:H94504
|
2.2
|
71.2
|
1.0
|
C2
|
B:H94504
|
2.3
|
74.2
|
1.0
|
O1
|
B:H94504
|
2.7
|
76.5
|
1.0
|
C11
|
B:H94504
|
2.8
|
74.6
|
1.0
|
C10
|
B:H94504
|
3.1
|
74.2
|
1.0
|
C12
|
B:H94504
|
3.1
|
73.0
|
1.0
|
O
|
B:ASN65
|
3.2
|
77.1
|
1.0
|
O
|
B:GLY71
|
3.2
|
61.4
|
1.0
|
C13
|
B:H94504
|
3.3
|
72.1
|
1.0
|
CA
|
B:GLY71
|
3.4
|
67.0
|
1.0
|
CA
|
B:MET66
|
3.5
|
72.1
|
1.0
|
C
|
B:ASN65
|
3.6
|
74.3
|
1.0
|
C3
|
B:H94504
|
3.7
|
72.9
|
1.0
|
C
|
B:GLY71
|
3.7
|
64.8
|
1.0
|
N
|
B:MET66
|
3.7
|
74.0
|
1.0
|
C7
|
B:H94504
|
3.9
|
74.8
|
1.0
|
OD2
|
B:ASP63
|
4.1
|
82.0
|
1.0
|
CB
|
B:MET66
|
4.2
|
74.9
|
1.0
|
N9
|
B:H94504
|
4.2
|
76.8
|
1.0
|
CB
|
B:CYS74
|
4.2
|
83.5
|
1.0
|
C4
|
B:H94504
|
4.5
|
73.0
|
1.0
|
C
|
B:MET66
|
4.5
|
67.7
|
1.0
|
N6
|
B:H94504
|
4.6
|
73.8
|
1.0
|
C17
|
B:H94504
|
4.6
|
73.2
|
1.0
|
CB
|
B:ASN65
|
4.6
|
73.8
|
1.0
|
N8
|
B:H94504
|
4.7
|
78.3
|
1.0
|
N
|
B:GLY71
|
4.7
|
68.9
|
1.0
|
C14
|
B:H94504
|
4.7
|
72.7
|
1.0
|
N
|
B:TRP75
|
4.7
|
77.5
|
1.0
|
CA
|
B:ASN65
|
4.8
|
74.0
|
1.0
|
O
|
B:MET66
|
4.8
|
66.8
|
1.0
|
CB
|
B:TRP75
|
4.9
|
73.8
|
1.0
|
N
|
B:VAL72
|
5.0
|
64.7
|
1.0
|
C
|
B:CYS74
|
5.0
|
78.9
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 6mvd
Go back to
Fluorine Binding Sites List in 6mvd
Fluorine binding site 10 out
of 12 in the Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Crystal Structure of Lecithin:Cholesterol Acyltransferase (Lcat) in Complex with Isopropyl Dodec-11-Enylfluorophosphonate (Idfp) and A Small Molecule Activator within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F504
b:86.3
occ:1.00
|
F27
|
B:H94504
|
0.0
|
86.3
|
1.0
|
C26
|
B:H94504
|
1.3
|
83.4
|
1.0
|
F28
|
B:H94504
|
2.1
|
85.4
|
1.0
|
F29
|
B:H94504
|
2.1
|
85.2
|
1.0
|
C20
|
B:H94504
|
2.4
|
78.8
|
1.0
|
C19
|
B:H94504
|
2.9
|
75.7
|
1.0
|
CB
|
B:PRO69
|
3.0
|
66.4
|
1.0
|
O
|
B:PRO69
|
3.4
|
66.5
|
1.0
|
CG
|
B:PRO69
|
3.7
|
66.7
|
1.0
|
C21
|
B:H94504
|
3.7
|
76.6
|
1.0
|
C
|
B:PRO69
|
3.8
|
67.2
|
1.0
|
CA
|
B:PRO69
|
3.9
|
66.7
|
1.0
|
CD
|
B:PRO69
|
4.0
|
67.9
|
1.0
|
N
|
B:PRO69
|
4.2
|
66.9
|
1.0
|
CD1
|
B:LEU70
|
4.2
|
71.0
|
1.0
|
C18
|
B:H94504
|
4.3
|
74.9
|
1.0
|
CD1
|
A:LEU378
|
4.3
|
63.8
|
1.0
|
C24
|
B:H94504
|
4.3
|
78.3
|
1.0
|
CG
|
B:LEU70
|
4.6
|
69.5
|
1.0
|
N
|
B:LEU70
|
4.7
|
69.2
|
1.0
|
C22
|
B:H94504
|
4.8
|
77.3
|
1.0
|
CB
|
B:LEU70
|
4.8
|
70.6
|
1.0
|
CG
|
B:MET49
|
4.9
|
81.8
|
1.0
|
CD2
|
A:LEU378
|
4.9
|
65.3
|
1.0
|
|
Reference:
K.A.Manthei,
S.M.Yang,
B.Baljinnyam,
L.Chang,
A.Glukhova,
W.Yuan,
L.A.Freeman,
D.J.Maloney,
A.Schwendeman,
A.T.Remaley,
A.Jadhav,
J.J.Tesmer.
Molecular Basis For Activation of Lecithin:Cholesterol Acyltransferase By A Compound That Increases Hdl Cholesterol. Elife V. 7 2018.
ISSN: ESSN 2050-084X
PubMed: 30479275
DOI: 10.7554/ELIFE.41604
Page generated: Thu Aug 1 22:20:04 2024
|