Fluorine in PDB 4z90: Elic Bound with the Anesthetic Isoflurane in the Resting State
Protein crystallography data
The structure of Elic Bound with the Anesthetic Isoflurane in the Resting State, PDB code: 4z90
was solved by
Q.Chen,
M.Kinde,
P.Arjunan,
A.Cohen,
Y.Xu,
P.Tang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
36.97 /
3.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
105.848,
267.079,
111.128,
90.00,
106.94,
90.00
|
R / Rfree (%)
|
20.9 /
24.3
|
Other elements in 4z90:
The structure of Elic Bound with the Anesthetic Isoflurane in the Resting State also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Binding sites:
The binding sites of Fluorine atom in the Elic Bound with the Anesthetic Isoflurane in the Resting State
(pdb code 4z90). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 20 binding sites of Fluorine where determined in the
Elic Bound with the Anesthetic Isoflurane in the Resting State, PDB code: 4z90:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 1 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:0.5
occ:1.00
|
F01
|
A:4LE401
|
0.0
|
0.5
|
1.0
|
C01
|
A:4LE401
|
1.3
|
1.0
|
1.0
|
F03
|
A:4LE401
|
2.1
|
0.3
|
1.0
|
F02
|
A:4LE401
|
2.2
|
0.8
|
1.0
|
C02
|
A:4LE401
|
2.3
|
0.7
|
1.0
|
F04
|
A:4LE401
|
2.3
|
0.8
|
1.0
|
CL1
|
A:4LE401
|
2.4
|
0.2
|
1.0
|
O01
|
A:4LE401
|
2.9
|
0.3
|
1.0
|
C03
|
A:4LE401
|
3.0
|
0.8
|
1.0
|
CD1
|
C:LEU240
|
3.9
|
73.5
|
1.0
|
CD2
|
C:LEU240
|
3.9
|
77.5
|
1.0
|
CG
|
C:LEU240
|
4.0
|
74.6
|
1.0
|
F05
|
A:4LE401
|
4.2
|
0.3
|
1.0
|
CD2
|
B:LEU240
|
4.6
|
71.3
|
1.0
|
CD2
|
D:LEU240
|
4.7
|
78.3
|
1.0
|
CG
|
B:LEU240
|
4.7
|
71.5
|
1.0
|
CB
|
B:ALA244
|
4.8
|
67.6
|
1.0
|
CB
|
C:ALA244
|
4.9
|
74.6
|
1.0
|
CD1
|
B:LEU240
|
5.0
|
70.7
|
1.0
|
CD1
|
D:LEU240
|
5.0
|
73.5
|
1.0
|
|
Fluorine binding site 2 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 2 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:0.8
occ:1.00
|
F02
|
A:4LE401
|
0.0
|
0.8
|
1.0
|
C01
|
A:4LE401
|
1.3
|
1.0
|
1.0
|
F01
|
A:4LE401
|
2.2
|
0.5
|
1.0
|
F03
|
A:4LE401
|
2.2
|
0.3
|
1.0
|
C02
|
A:4LE401
|
2.3
|
0.7
|
1.0
|
CL1
|
A:4LE401
|
3.2
|
0.2
|
1.0
|
CB
|
C:ALA244
|
3.3
|
74.6
|
1.0
|
O01
|
A:4LE401
|
3.4
|
0.3
|
1.0
|
CD1
|
D:LEU240
|
3.5
|
73.5
|
1.0
|
CG
|
D:LEU240
|
3.9
|
73.4
|
1.0
|
F04
|
A:4LE401
|
4.1
|
0.8
|
1.0
|
CD2
|
D:LEU240
|
4.1
|
78.3
|
1.0
|
C03
|
A:4LE401
|
4.3
|
0.8
|
1.0
|
CG
|
C:LEU240
|
4.6
|
74.6
|
1.0
|
CA
|
C:ALA244
|
4.6
|
71.5
|
1.0
|
CB
|
D:ALA244
|
4.7
|
68.0
|
1.0
|
O
|
C:LEU240
|
4.7
|
71.8
|
1.0
|
O
|
D:LEU240
|
4.8
|
85.8
|
1.0
|
CD1
|
C:LEU240
|
4.8
|
73.5
|
1.0
|
CD2
|
C:LEU240
|
4.9
|
77.5
|
1.0
|
|
Fluorine binding site 3 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 3 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:0.3
occ:1.00
|
F03
|
A:4LE401
|
0.0
|
0.3
|
1.0
|
C01
|
A:4LE401
|
1.3
|
1.0
|
1.0
|
F01
|
A:4LE401
|
2.1
|
0.5
|
1.0
|
F02
|
A:4LE401
|
2.2
|
0.8
|
1.0
|
C02
|
A:4LE401
|
2.3
|
0.7
|
1.0
|
O01
|
A:4LE401
|
2.3
|
0.3
|
1.0
|
F04
|
A:4LE401
|
2.9
|
0.8
|
1.0
|
C03
|
A:4LE401
|
3.2
|
0.8
|
1.0
|
CL1
|
A:4LE401
|
3.6
|
0.2
|
1.0
|
CD2
|
E:LEU240
|
3.8
|
70.8
|
1.0
|
CD1
|
E:LEU240
|
3.9
|
82.2
|
1.0
|
F05
|
A:4LE401
|
3.9
|
0.3
|
1.0
|
CD2
|
D:LEU240
|
4.0
|
78.3
|
1.0
|
CG
|
E:LEU240
|
4.0
|
69.1
|
1.0
|
CG
|
D:LEU240
|
4.2
|
73.4
|
1.0
|
CD1
|
D:LEU240
|
4.6
|
73.5
|
1.0
|
CB
|
D:ALA244
|
4.6
|
68.0
|
1.0
|
CD2
|
A:LEU240
|
4.7
|
71.0
|
1.0
|
|
Fluorine binding site 4 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 4 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:0.8
occ:1.00
|
F04
|
A:4LE401
|
0.0
|
0.8
|
1.0
|
C03
|
A:4LE401
|
1.3
|
0.8
|
1.0
|
F05
|
A:4LE401
|
2.2
|
0.3
|
1.0
|
O01
|
A:4LE401
|
2.2
|
0.3
|
1.0
|
F01
|
A:4LE401
|
2.3
|
0.5
|
1.0
|
CL1
|
A:4LE401
|
2.6
|
0.2
|
1.0
|
C02
|
A:4LE401
|
2.7
|
0.7
|
1.0
|
C01
|
A:4LE401
|
2.8
|
1.0
|
1.0
|
F03
|
A:4LE401
|
2.9
|
0.3
|
1.0
|
CB
|
A:ALA244
|
3.7
|
78.1
|
1.0
|
CD1
|
B:LEU240
|
3.9
|
70.7
|
1.0
|
F02
|
A:4LE401
|
4.1
|
0.8
|
1.0
|
CG
|
B:LEU240
|
4.3
|
71.5
|
1.0
|
CG
|
A:LEU240
|
4.3
|
71.7
|
1.0
|
CD2
|
B:LEU240
|
4.4
|
71.3
|
1.0
|
CD1
|
A:LEU240
|
4.5
|
71.6
|
1.0
|
CD2
|
A:LEU240
|
4.5
|
71.0
|
1.0
|
CA
|
A:ALA244
|
4.9
|
78.3
|
1.0
|
O
|
A:LEU240
|
4.9
|
80.3
|
1.0
|
|
Fluorine binding site 5 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 5 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F401
b:0.3
occ:1.00
|
F05
|
A:4LE401
|
0.0
|
0.3
|
1.0
|
C03
|
A:4LE401
|
1.3
|
0.8
|
1.0
|
F04
|
A:4LE401
|
2.2
|
0.8
|
1.0
|
O01
|
A:4LE401
|
2.2
|
0.3
|
1.0
|
CB
|
E:ALA244
|
3.3
|
71.3
|
1.0
|
CB
|
A:ALA244
|
3.3
|
78.1
|
1.0
|
C02
|
A:4LE401
|
3.5
|
0.7
|
1.0
|
CD1
|
A:LEU240
|
3.6
|
71.6
|
1.0
|
CL1
|
A:4LE401
|
3.8
|
0.2
|
1.0
|
F03
|
A:4LE401
|
3.9
|
0.3
|
1.0
|
CA
|
A:ALA244
|
3.9
|
78.3
|
1.0
|
CG
|
A:LEU240
|
4.1
|
71.7
|
1.0
|
C01
|
A:4LE401
|
4.1
|
1.0
|
1.0
|
O
|
A:LEU240
|
4.1
|
80.3
|
1.0
|
F01
|
A:4LE401
|
4.2
|
0.5
|
1.0
|
CG2
|
A:VAL243
|
4.2
|
71.9
|
1.0
|
N
|
A:ALA244
|
4.2
|
76.2
|
1.0
|
CA
|
E:ALA244
|
4.6
|
70.3
|
1.0
|
CD2
|
A:LEU240
|
4.8
|
71.0
|
1.0
|
|
Fluorine binding site 6 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 6 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F401
b:0.9
occ:1.00
|
F01
|
E:4LE401
|
0.0
|
0.9
|
1.0
|
C01
|
E:4LE401
|
1.3
|
0.0
|
1.0
|
F03
|
E:4LE401
|
2.2
|
0.7
|
1.0
|
F02
|
E:4LE401
|
2.2
|
0.8
|
1.0
|
C02
|
E:4LE401
|
2.3
|
0.7
|
1.0
|
CL1
|
E:4LE401
|
2.4
|
0.3
|
1.0
|
F04
|
E:4LE401
|
2.5
|
0.7
|
1.0
|
O01
|
E:4LE401
|
3.0
|
0.1
|
1.0
|
C03
|
E:4LE401
|
3.1
|
0.2
|
1.0
|
OG1
|
E:THR237
|
3.3
|
91.0
|
1.0
|
CG2
|
E:THR237
|
4.0
|
85.2
|
1.0
|
CB
|
E:THR237
|
4.1
|
82.8
|
1.0
|
CD2
|
E:LEU240
|
4.2
|
70.8
|
1.0
|
F05
|
E:4LE401
|
4.4
|
0.8
|
1.0
|
CD2
|
A:LEU240
|
4.5
|
71.0
|
1.0
|
OG1
|
D:THR237
|
4.6
|
91.1
|
1.0
|
CA
|
E:THR237
|
4.6
|
76.9
|
1.0
|
CG2
|
D:THR237
|
4.6
|
79.8
|
1.0
|
|
Fluorine binding site 7 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 7 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F401
b:0.8
occ:1.00
|
F02
|
E:4LE401
|
0.0
|
0.8
|
1.0
|
C01
|
E:4LE401
|
1.3
|
0.0
|
1.0
|
F01
|
E:4LE401
|
2.2
|
0.9
|
1.0
|
F03
|
E:4LE401
|
2.2
|
0.7
|
1.0
|
C02
|
E:4LE401
|
2.3
|
0.7
|
1.0
|
OG1
|
E:THR237
|
2.7
|
91.0
|
1.0
|
OG1
|
A:THR237
|
3.3
|
87.5
|
1.0
|
CL1
|
E:4LE401
|
3.3
|
0.3
|
1.0
|
CG2
|
E:THR237
|
3.4
|
85.2
|
1.0
|
O01
|
E:4LE401
|
3.4
|
0.1
|
1.0
|
CB
|
E:THR237
|
3.7
|
82.8
|
1.0
|
F04
|
E:4LE401
|
4.1
|
0.7
|
1.0
|
C03
|
E:4LE401
|
4.3
|
0.2
|
1.0
|
CB
|
A:THR237
|
4.5
|
82.9
|
1.0
|
CA
|
E:THR237
|
4.8
|
76.9
|
1.0
|
CG2
|
A:THR237
|
4.8
|
82.6
|
1.0
|
CA
|
A:THR237
|
4.9
|
79.4
|
1.0
|
|
Fluorine binding site 8 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 8 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F401
b:0.7
occ:1.00
|
F03
|
E:4LE401
|
0.0
|
0.7
|
1.0
|
C01
|
E:4LE401
|
1.3
|
0.0
|
1.0
|
F01
|
E:4LE401
|
2.2
|
0.9
|
1.0
|
F02
|
E:4LE401
|
2.2
|
0.8
|
1.0
|
C02
|
E:4LE401
|
2.3
|
0.7
|
1.0
|
O01
|
E:4LE401
|
2.4
|
0.1
|
1.0
|
F04
|
E:4LE401
|
2.6
|
0.7
|
1.0
|
C03
|
E:4LE401
|
3.1
|
0.2
|
1.0
|
OG1
|
E:THR237
|
3.5
|
91.0
|
1.0
|
CL1
|
E:4LE401
|
3.6
|
0.3
|
1.0
|
OG1
|
D:THR237
|
3.8
|
91.1
|
1.0
|
F05
|
E:4LE401
|
4.0
|
0.8
|
1.0
|
CG2
|
D:THR237
|
4.7
|
79.8
|
1.0
|
CB
|
E:THR237
|
4.8
|
82.8
|
1.0
|
CB
|
D:THR237
|
4.9
|
82.6
|
1.0
|
|
Fluorine binding site 9 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 9 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F401
b:0.7
occ:1.00
|
F04
|
E:4LE401
|
0.0
|
0.7
|
1.0
|
C03
|
E:4LE401
|
1.3
|
0.2
|
1.0
|
F05
|
E:4LE401
|
2.2
|
0.8
|
1.0
|
O01
|
E:4LE401
|
2.2
|
0.1
|
1.0
|
F01
|
E:4LE401
|
2.5
|
0.9
|
1.0
|
F03
|
E:4LE401
|
2.6
|
0.7
|
1.0
|
C02
|
E:4LE401
|
2.8
|
0.7
|
1.0
|
C01
|
E:4LE401
|
2.8
|
0.0
|
1.0
|
CL1
|
E:4LE401
|
3.0
|
0.3
|
1.0
|
OG1
|
D:THR237
|
3.5
|
91.1
|
1.0
|
CG2
|
C:THR237
|
4.0
|
88.9
|
1.0
|
OG1
|
C:THR237
|
4.0
|
99.4
|
1.0
|
F02
|
E:4LE401
|
4.1
|
0.8
|
1.0
|
CD2
|
D:LEU240
|
4.2
|
78.3
|
1.0
|
CG2
|
D:THR237
|
4.4
|
79.8
|
1.0
|
CB
|
D:THR237
|
4.4
|
82.6
|
1.0
|
CB
|
C:THR237
|
4.7
|
89.0
|
1.0
|
CA
|
D:THR237
|
4.8
|
77.7
|
1.0
|
CD2
|
E:LEU240
|
4.9
|
70.8
|
1.0
|
|
Fluorine binding site 10 out
of 20 in 4z90
Go back to
Fluorine Binding Sites List in 4z90
Fluorine binding site 10 out
of 20 in the Elic Bound with the Anesthetic Isoflurane in the Resting State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F401
b:0.8
occ:1.00
|
F05
|
E:4LE401
|
0.0
|
0.8
|
1.0
|
C03
|
E:4LE401
|
1.3
|
0.2
|
1.0
|
F04
|
E:4LE401
|
2.2
|
0.7
|
1.0
|
O01
|
E:4LE401
|
2.2
|
0.1
|
1.0
|
OG1
|
C:THR237
|
2.3
|
99.4
|
1.0
|
CG2
|
C:THR237
|
3.0
|
88.9
|
1.0
|
CB
|
C:THR237
|
3.1
|
89.0
|
1.0
|
C02
|
E:4LE401
|
3.4
|
0.7
|
1.0
|
CA
|
C:THR237
|
3.5
|
85.3
|
1.0
|
CL1
|
E:4LE401
|
3.7
|
0.3
|
1.0
|
F03
|
E:4LE401
|
4.0
|
0.7
|
1.0
|
C01
|
E:4LE401
|
4.2
|
0.0
|
1.0
|
CG2
|
B:THR237
|
4.3
|
82.1
|
1.0
|
F01
|
E:4LE401
|
4.4
|
0.9
|
1.0
|
N
|
C:THR237
|
4.4
|
86.1
|
1.0
|
OG1
|
B:THR237
|
4.6
|
88.1
|
1.0
|
C
|
C:THR237
|
4.6
|
81.6
|
1.0
|
CD2
|
C:LEU240
|
4.7
|
77.5
|
1.0
|
O
|
C:THR237
|
4.7
|
87.8
|
1.0
|
OG1
|
D:THR237
|
4.8
|
91.1
|
1.0
|
CD2
|
D:LEU240
|
4.9
|
78.3
|
1.0
|
|
Reference:
Q.Chen,
M.N.Kinde,
P.Arjunan,
M.M.Wells,
A.E.Cohen,
Y.Xu,
P.Tang.
Direct Pore Binding As A Mechanism For Isoflurane Inhibition of the Pentameric Ligand-Gated Ion Channel Elic. Sci Rep V. 5 13833 2015.
ISSN: ESSN 2045-2322
PubMed: 26346220
DOI: 10.1038/SREP13833
Page generated: Thu Aug 1 07:11:04 2024
|