Fluorine in PDB 2v98: Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
Enzymatic activity of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
All present enzymatic activity of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place:
3.1.1.7;
Protein crystallography data
The structure of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place, PDB code: 2v98
was solved by
J.-P.Colletier,
B.Sanson,
A.Royant,
A.Specht,
F.Nachon,
P.Masson,
G.Zaccai,
J.L.Sussman,
M.Goeldner,
I.Silman,
D.Bourgeois,
M.Weik,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
8.00 /
3.00
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
91.620,
104.470,
148.800,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
20.2 /
24.9
|
Other elements in 2v98:
The structure of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
24;
Binding sites:
The binding sites of Fluorine atom in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
(pdb code 2v98). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the
Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place, PDB code: 2v98:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 1 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1537
b:48.0
occ:0.80
|
F1
|
A:CFQ1537
|
0.0
|
48.0
|
0.8
|
|
O3
|
A:CFQ1537
|
1.3
|
39.5
|
0.2
|
|
C14
|
A:CFQ1537
|
1.3
|
49.1
|
0.8
|
|
F2
|
A:CFQ1537
|
2.1
|
48.1
|
0.8
|
|
F3
|
A:CFQ1537
|
2.2
|
47.2
|
0.8
|
|
C6
|
A:CFQ1537
|
2.4
|
51.5
|
0.8
|
|
N2
|
A:CFQ1537
|
2.4
|
39.9
|
0.2
|
|
N
|
A:GLY335
|
2.8
|
31.3
|
0.8
|
|
C7
|
A:CFQ1537
|
2.9
|
55.5
|
0.8
|
|
N
|
A:GLY335
|
3.0
|
39.0
|
0.2
|
|
C
|
A:TYR334
|
3.0
|
30.1
|
0.8
|
|
C
|
A:TYR334
|
3.0
|
38.5
|
0.2
|
|
CB
|
A:TYR334
|
3.1
|
31.3
|
0.8
|
|
CA
|
A:GLY335
|
3.1
|
31.9
|
0.8
|
|
CA
|
A:GLY335
|
3.1
|
39.3
|
0.2
|
|
O2
|
A:CFQ1537
|
3.2
|
38.9
|
0.2
|
|
C6
|
A:CFQ1537
|
3.2
|
41.8
|
0.2
|
|
O
|
A:TYR334
|
3.3
|
38.5
|
0.2
|
|
C12
|
A:CFQ1537
|
3.3
|
56.3
|
0.8
|
|
CB
|
A:TYR334
|
3.4
|
38.2
|
0.2
|
|
O
|
A:TYR334
|
3.4
|
28.4
|
0.8
|
|
C8
|
A:CFQ1537
|
3.5
|
40.1
|
0.2
|
|
F3
|
A:CFQ1537
|
3.5
|
41.0
|
0.2
|
|
F1
|
A:CFQ1537
|
3.6
|
41.5
|
0.2
|
|
O1
|
A:CFQ1537
|
3.6
|
52.9
|
0.8
|
|
C14
|
A:CFQ1537
|
3.6
|
41.7
|
0.2
|
|
CA
|
A:TYR334
|
3.6
|
30.8
|
0.8
|
|
C7
|
A:CFQ1537
|
3.8
|
40.7
|
0.2
|
|
CA
|
A:TYR334
|
3.8
|
38.4
|
0.2
|
|
C8
|
A:CFQ1537
|
3.9
|
57.5
|
0.8
|
|
CG2
|
A:ILE287
|
4.0
|
39.0
|
0.2
|
|
O
|
A:PHE331
|
4.0
|
38.8
|
0.8
|
|
CG2
|
A:ILE287
|
4.3
|
37.0
|
0.8
|
|
CG
|
A:TYR334
|
4.3
|
33.2
|
0.8
|
|
O1
|
A:CFQ1537
|
4.4
|
43.4
|
0.2
|
|
O3
|
A:CFQ1537
|
4.4
|
59.5
|
0.8
|
|
C11
|
A:CFQ1537
|
4.4
|
57.9
|
0.8
|
|
O
|
A:PHE331
|
4.5
|
37.8
|
0.2
|
|
C5
|
A:CFQ1537
|
4.5
|
45.3
|
0.2
|
|
C
|
A:GLY335
|
4.5
|
31.9
|
0.8
|
|
N2
|
A:CFQ1537
|
4.6
|
58.9
|
0.8
|
|
C
|
A:GLY335
|
4.6
|
39.5
|
0.2
|
|
N
|
A:TYR334
|
4.6
|
29.4
|
0.8
|
|
CG
|
A:TYR334
|
4.7
|
38.4
|
0.2
|
|
C5
|
A:CFQ1537
|
4.7
|
51.9
|
0.8
|
|
CD2
|
A:TYR334
|
4.7
|
32.1
|
0.8
|
|
C9
|
A:CFQ1537
|
4.7
|
40.1
|
0.2
|
|
CB
|
A:ILE287
|
4.8
|
38.9
|
0.2
|
|
N
|
A:TYR334
|
4.9
|
37.9
|
0.2
|
|
C9
|
A:CFQ1537
|
4.9
|
58.0
|
0.8
|
|
F2
|
A:CFQ1537
|
4.9
|
42.4
|
0.2
|
|
Fluorine binding site 2 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 2 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1537
b:41.5
occ:0.20
|
F1
|
A:CFQ1537
|
0.0
|
41.5
|
0.2
|
|
C14
|
A:CFQ1537
|
1.3
|
41.7
|
0.2
|
|
F2
|
A:CFQ1537
|
2.1
|
42.4
|
0.2
|
|
F3
|
A:CFQ1537
|
2.2
|
41.0
|
0.2
|
|
C6
|
A:CFQ1537
|
2.4
|
41.8
|
0.2
|
|
C12
|
A:CFQ1537
|
2.5
|
56.3
|
0.8
|
|
F2
|
A:CFQ1537
|
2.5
|
48.1
|
0.8
|
|
CD2
|
A:TYR334
|
2.7
|
32.1
|
0.8
|
|
C7
|
A:CFQ1537
|
2.9
|
40.7
|
0.2
|
|
O
|
A:HOH2166
|
2.9
|
32.4
|
0.8
|
|
O
|
A:HOH2175
|
3.0
|
37.9
|
0.2
|
|
C11
|
A:CFQ1537
|
3.2
|
57.9
|
0.8
|
|
CD2
|
A:TYR334
|
3.2
|
38.0
|
0.2
|
|
CB
|
A:TYR334
|
3.4
|
31.3
|
0.8
|
|
CG
|
A:TYR334
|
3.5
|
33.2
|
0.8
|
|
C14
|
A:CFQ1537
|
3.5
|
49.1
|
0.8
|
|
C12
|
A:CFQ1537
|
3.5
|
40.0
|
0.2
|
|
CB
|
A:TYR334
|
3.5
|
38.2
|
0.2
|
|
F1
|
A:CFQ1537
|
3.6
|
48.0
|
0.8
|
|
C8
|
A:CFQ1537
|
3.6
|
40.1
|
0.2
|
|
O1
|
A:CFQ1537
|
3.6
|
43.4
|
0.2
|
|
C7
|
A:CFQ1537
|
3.7
|
55.5
|
0.8
|
|
CE2
|
A:TYR334
|
3.7
|
31.8
|
0.8
|
|
CG
|
A:TYR334
|
3.8
|
38.4
|
0.2
|
|
C2
|
A:CFQ1537
|
3.9
|
51.7
|
0.8
|
|
O3
|
A:CFQ1537
|
3.9
|
39.5
|
0.2
|
|
C6
|
A:CFQ1537
|
4.0
|
51.5
|
0.8
|
|
N2
|
A:CFQ1537
|
4.1
|
39.9
|
0.2
|
|
CG
|
A:GLN74
|
4.1
|
37.6
|
0.8
|
|
O
|
A:TYR334
|
4.2
|
38.5
|
0.2
|
|
O1
|
A:CFQ1537
|
4.3
|
52.9
|
0.8
|
|
CE2
|
A:TYR334
|
4.3
|
37.7
|
0.2
|
|
O
|
A:TYR334
|
4.4
|
28.4
|
0.8
|
|
CA
|
A:TYR334
|
4.4
|
38.4
|
0.2
|
|
CA
|
A:TYR334
|
4.4
|
30.8
|
0.8
|
|
C
|
A:TYR334
|
4.4
|
38.5
|
0.2
|
|
C
|
A:TYR334
|
4.5
|
30.1
|
0.8
|
|
C11
|
A:CFQ1537
|
4.5
|
39.9
|
0.2
|
|
C10
|
A:CFQ1537
|
4.6
|
58.6
|
0.8
|
|
F3
|
A:CFQ1537
|
4.6
|
47.2
|
0.8
|
|
CG
|
A:GLN74
|
4.6
|
40.6
|
0.2
|
|
C9
|
A:CFQ1537
|
4.6
|
40.1
|
0.2
|
|
C5
|
A:CFQ1537
|
4.7
|
45.3
|
0.2
|
|
C10
|
A:CFQ1538
|
4.8
|
48.8
|
0.8
|
|
CD1
|
A:TYR334
|
4.8
|
34.7
|
0.8
|
|
C10
|
A:CFQ1538
|
4.9
|
47.9
|
0.2
|
|
C8
|
A:CFQ1537
|
4.9
|
57.5
|
0.8
|
|
C1
|
A:CFQ1537
|
5.0
|
54.3
|
0.8
|
|
Fluorine binding site 3 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 3 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1537
b:48.1
occ:0.80
|
F2
|
A:CFQ1537
|
0.0
|
48.1
|
0.8
|
|
C14
|
A:CFQ1537
|
1.3
|
49.1
|
0.8
|
|
F3
|
A:CFQ1537
|
1.5
|
41.0
|
0.2
|
|
C14
|
A:CFQ1537
|
1.9
|
41.7
|
0.2
|
|
C6
|
A:CFQ1537
|
1.9
|
41.8
|
0.2
|
|
F1
|
A:CFQ1537
|
2.1
|
48.0
|
0.8
|
|
F3
|
A:CFQ1537
|
2.1
|
47.2
|
0.8
|
|
C6
|
A:CFQ1537
|
2.4
|
51.5
|
0.8
|
|
F1
|
A:CFQ1537
|
2.5
|
41.5
|
0.2
|
|
O1
|
A:CFQ1537
|
2.7
|
52.9
|
0.8
|
|
O3
|
A:CFQ1537
|
2.7
|
39.5
|
0.2
|
|
O1
|
A:CFQ1537
|
2.8
|
43.4
|
0.2
|
|
C12
|
A:CFQ1537
|
3.1
|
56.3
|
0.8
|
|
F2
|
A:CFQ1537
|
3.1
|
42.4
|
0.2
|
|
C5
|
A:CFQ1537
|
3.1
|
45.3
|
0.2
|
|
C7
|
A:CFQ1537
|
3.1
|
55.5
|
0.8
|
|
C7
|
A:CFQ1537
|
3.2
|
40.7
|
0.2
|
|
O
|
A:TYR334
|
3.3
|
38.5
|
0.2
|
|
C1
|
A:CFQ1537
|
3.3
|
54.3
|
0.8
|
|
O
|
A:TYR334
|
3.5
|
28.4
|
0.8
|
|
N2
|
A:CFQ1537
|
3.6
|
39.9
|
0.2
|
|
C
|
A:TYR334
|
3.8
|
30.1
|
0.8
|
|
C8
|
A:CFQ1537
|
3.8
|
40.1
|
0.2
|
|
C
|
A:TYR334
|
3.8
|
38.5
|
0.2
|
|
C2
|
A:CFQ1537
|
4.0
|
51.7
|
0.8
|
|
CB
|
A:TYR334
|
4.0
|
31.3
|
0.8
|
|
C5
|
A:CFQ1537
|
4.0
|
51.9
|
0.8
|
|
N
|
A:GLY335
|
4.1
|
31.3
|
0.8
|
|
CA
|
A:GLY335
|
4.1
|
31.9
|
0.8
|
|
AS
|
A:CFQ1537
|
4.1
|
52.6
|
0.8
|
|
CB
|
A:TYR334
|
4.2
|
38.2
|
0.2
|
|
CA
|
A:GLY335
|
4.2
|
39.3
|
0.2
|
|
N
|
A:GLY335
|
4.3
|
39.0
|
0.2
|
|
C11
|
A:CFQ1537
|
4.4
|
57.9
|
0.8
|
|
C12
|
A:CFQ1537
|
4.4
|
40.0
|
0.2
|
|
CA
|
A:TYR334
|
4.5
|
30.8
|
0.8
|
|
C8
|
A:CFQ1537
|
4.6
|
57.5
|
0.8
|
|
CA
|
A:TYR334
|
4.6
|
38.4
|
0.2
|
|
C4
|
A:CFQ1537
|
4.6
|
47.1
|
0.2
|
|
O2
|
A:CFQ1537
|
4.7
|
38.9
|
0.2
|
|
CD2
|
A:TYR334
|
4.7
|
32.1
|
0.8
|
|
C4
|
A:CFQ1537
|
4.8
|
52.1
|
0.8
|
|
CG
|
A:TYR334
|
4.9
|
33.2
|
0.8
|
|
Fluorine binding site 4 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 4 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1537
b:42.4
occ:0.20
|
F2
|
A:CFQ1537
|
0.0
|
42.4
|
0.2
|
|
C14
|
A:CFQ1537
|
1.3
|
41.7
|
0.2
|
|
F3
|
A:CFQ1537
|
2.1
|
41.0
|
0.2
|
|
F1
|
A:CFQ1537
|
2.1
|
41.5
|
0.2
|
|
C2
|
A:CFQ1537
|
2.2
|
51.7
|
0.8
|
|
C6
|
A:CFQ1537
|
2.4
|
41.8
|
0.2
|
|
O1
|
A:CFQ1537
|
2.7
|
43.4
|
0.2
|
|
O
|
A:HOH2166
|
2.8
|
32.4
|
0.8
|
|
O
|
A:HOH2175
|
2.9
|
37.9
|
0.2
|
|
F2
|
A:CFQ1537
|
3.1
|
48.1
|
0.8
|
|
C7
|
A:CFQ1537
|
3.3
|
40.7
|
0.2
|
|
C12
|
A:CFQ1537
|
3.4
|
40.0
|
0.2
|
|
C12
|
A:CFQ1537
|
3.5
|
56.3
|
0.8
|
|
C1
|
A:CFQ1537
|
3.7
|
48.5
|
0.2
|
|
OH
|
A:TYR70
|
3.7
|
34.7
|
0.2
|
|
AS
|
A:CFQ1537
|
3.7
|
52.6
|
0.8
|
|
C1
|
A:CFQ1537
|
3.8
|
54.3
|
0.8
|
|
C5
|
A:CFQ1537
|
3.9
|
45.3
|
0.2
|
|
OH
|
A:TYR70
|
3.9
|
36.0
|
0.8
|
|
O1
|
A:CFQ1537
|
4.1
|
52.9
|
0.8
|
|
C11
|
A:CFQ1537
|
4.3
|
57.9
|
0.8
|
|
C14
|
A:CFQ1537
|
4.3
|
49.1
|
0.8
|
|
C7
|
A:CFQ1537
|
4.4
|
55.5
|
0.8
|
|
C2
|
A:CFQ1537
|
4.5
|
48.6
|
0.2
|
|
C6
|
A:CFQ1537
|
4.5
|
51.5
|
0.8
|
|
AS
|
A:CFQ1537
|
4.5
|
50.1
|
0.2
|
|
CZ
|
A:TYR70
|
4.6
|
34.5
|
0.2
|
|
C8
|
A:CFQ1537
|
4.6
|
40.1
|
0.2
|
|
CD2
|
A:TYR334
|
4.6
|
32.1
|
0.8
|
|
CZ
|
A:TYR70
|
4.7
|
36.5
|
0.8
|
|
C11
|
A:CFQ1537
|
4.7
|
39.9
|
0.2
|
|
CE2
|
A:TYR70
|
4.8
|
34.6
|
0.8
|
|
C4
|
A:CFQ1537
|
4.8
|
47.1
|
0.2
|
|
CG
|
A:GLN74
|
4.9
|
37.6
|
0.8
|
|
CE2
|
A:TYR70
|
4.9
|
34.6
|
0.2
|
|
O
|
A:HOH2184
|
4.9
|
58.4
|
0.8
|
|
F1
|
A:CFQ1537
|
4.9
|
48.0
|
0.8
|
|
Fluorine binding site 5 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 5 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1537
b:47.2
occ:0.80
|
F3
|
A:CFQ1537
|
0.0
|
47.2
|
0.8
|
|
C14
|
A:CFQ1537
|
1.3
|
49.1
|
0.8
|
|
F2
|
A:CFQ1537
|
2.1
|
48.1
|
0.8
|
|
F1
|
A:CFQ1537
|
2.2
|
48.0
|
0.8
|
|
C6
|
A:CFQ1537
|
2.4
|
51.5
|
0.8
|
|
O3
|
A:CFQ1537
|
2.8
|
39.5
|
0.2
|
|
O1
|
A:CFQ1537
|
3.0
|
52.9
|
0.8
|
|
CA
|
A:GLY335
|
3.0
|
31.9
|
0.8
|
|
O
|
A:HOH2571
|
3.1
|
29.7
|
0.8
|
|
CA
|
A:GLY335
|
3.2
|
39.3
|
0.2
|
|
O
|
A:HOH2572
|
3.3
|
42.9
|
0.2
|
|
F3
|
A:CFQ1537
|
3.4
|
41.0
|
0.2
|
|
C5
|
A:CFQ1537
|
3.5
|
45.3
|
0.2
|
|
O
|
A:HOH2525
|
3.5
|
71.3
|
0.2
|
|
C6
|
A:CFQ1537
|
3.5
|
41.8
|
0.2
|
|
O
|
A:HOH2524
|
3.5
|
75.3
|
0.8
|
|
N
|
A:GLY335
|
3.6
|
31.3
|
0.8
|
|
C5
|
A:CFQ1537
|
3.7
|
51.9
|
0.8
|
|
CG2
|
A:ILE287
|
3.7
|
39.0
|
0.2
|
|
O
|
A:TYR334
|
3.8
|
38.5
|
0.2
|
|
C1
|
A:CFQ1537
|
3.8
|
54.3
|
0.8
|
|
C7
|
A:CFQ1537
|
3.8
|
55.5
|
0.8
|
|
O
|
A:TYR334
|
3.9
|
28.4
|
0.8
|
|
N
|
A:GLY335
|
3.9
|
39.0
|
0.2
|
|
N2
|
A:CFQ1537
|
3.9
|
39.9
|
0.2
|
|
C
|
A:TYR334
|
4.0
|
30.1
|
0.8
|
|
C14
|
A:CFQ1537
|
4.0
|
41.7
|
0.2
|
|
O1
|
A:CFQ1537
|
4.0
|
43.4
|
0.2
|
|
C
|
A:TYR334
|
4.1
|
38.5
|
0.2
|
|
C
|
A:GLY335
|
4.1
|
31.9
|
0.8
|
|
CG2
|
A:ILE287
|
4.2
|
37.0
|
0.8
|
|
O
|
A:GLY335
|
4.3
|
30.4
|
0.8
|
|
C
|
A:GLY335
|
4.3
|
39.5
|
0.2
|
|
O
|
A:GLY335
|
4.4
|
39.0
|
0.2
|
|
C12
|
A:CFQ1537
|
4.5
|
56.3
|
0.8
|
|
O3
|
A:CFQ1537
|
4.6
|
59.5
|
0.8
|
|
O
|
A:SER286
|
4.6
|
42.4
|
0.8
|
|
F1
|
A:CFQ1537
|
4.6
|
41.5
|
0.2
|
|
C7
|
A:CFQ1537
|
4.6
|
40.7
|
0.2
|
|
C8
|
A:CFQ1537
|
4.7
|
40.1
|
0.2
|
|
O2
|
A:CFQ1537
|
4.8
|
38.9
|
0.2
|
|
C4
|
A:CFQ1537
|
4.8
|
52.1
|
0.8
|
|
C4
|
A:CFQ1537
|
4.8
|
47.1
|
0.2
|
|
AS
|
A:CFQ1537
|
4.9
|
52.6
|
0.8
|
|
C8
|
A:CFQ1537
|
4.9
|
57.5
|
0.8
|
|
CB
|
A:TYR334
|
5.0
|
31.3
|
0.8
|
|
CB
|
A:ILE287
|
5.0
|
38.9
|
0.2
|
|
Fluorine binding site 6 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 6 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1537
b:41.0
occ:0.20
|
F3
|
A:CFQ1537
|
0.0
|
41.0
|
0.2
|
|
C14
|
A:CFQ1537
|
1.3
|
41.7
|
0.2
|
|
F2
|
A:CFQ1537
|
1.5
|
48.1
|
0.8
|
|
F2
|
A:CFQ1537
|
2.1
|
42.4
|
0.2
|
|
F1
|
A:CFQ1537
|
2.2
|
41.5
|
0.2
|
|
C6
|
A:CFQ1537
|
2.4
|
41.8
|
0.2
|
|
C14
|
A:CFQ1537
|
2.8
|
49.1
|
0.8
|
|
C1
|
A:CFQ1537
|
3.1
|
54.3
|
0.8
|
|
O1
|
A:CFQ1537
|
3.1
|
43.4
|
0.2
|
|
F3
|
A:CFQ1537
|
3.4
|
47.2
|
0.8
|
|
F1
|
A:CFQ1537
|
3.5
|
48.0
|
0.8
|
|
O
|
A:TYR334
|
3.5
|
38.5
|
0.2
|
|
C5
|
A:CFQ1537
|
3.6
|
45.3
|
0.2
|
|
C2
|
A:CFQ1537
|
3.6
|
51.7
|
0.8
|
|
O1
|
A:CFQ1537
|
3.7
|
52.9
|
0.8
|
|
C6
|
A:CFQ1537
|
3.7
|
51.5
|
0.8
|
|
O
|
A:TYR334
|
3.7
|
28.4
|
0.8
|
|
C12
|
A:CFQ1537
|
3.7
|
56.3
|
0.8
|
|
C7
|
A:CFQ1537
|
3.8
|
40.7
|
0.2
|
|
AS
|
A:CFQ1537
|
4.0
|
52.6
|
0.8
|
|
O3
|
A:CFQ1537
|
4.1
|
39.5
|
0.2
|
|
C7
|
A:CFQ1537
|
4.2
|
55.5
|
0.8
|
|
C
|
A:TYR334
|
4.2
|
38.5
|
0.2
|
|
C
|
A:TYR334
|
4.3
|
30.1
|
0.8
|
|
O
|
A:HOH2166
|
4.4
|
32.4
|
0.8
|
|
CB
|
A:TYR334
|
4.4
|
31.3
|
0.8
|
|
O
|
A:HOH2175
|
4.5
|
37.9
|
0.2
|
|
C1
|
A:CFQ1537
|
4.5
|
48.5
|
0.2
|
|
CD2
|
A:TYR334
|
4.5
|
32.1
|
0.8
|
|
CB
|
A:TYR334
|
4.6
|
38.2
|
0.2
|
|
C12
|
A:CFQ1537
|
4.6
|
40.0
|
0.2
|
|
C8
|
A:CFQ1537
|
4.7
|
40.1
|
0.2
|
|
N2
|
A:CFQ1537
|
4.8
|
39.9
|
0.2
|
|
CA
|
A:TYR334
|
4.8
|
30.8
|
0.8
|
|
CA
|
A:TYR334
|
4.9
|
38.4
|
0.2
|
|
C11
|
A:CFQ1537
|
4.9
|
57.9
|
0.8
|
|
CG
|
A:GLN74
|
4.9
|
37.6
|
0.8
|
|
N
|
A:GLY335
|
4.9
|
31.3
|
0.8
|
|
C5
|
A:CFQ1537
|
4.9
|
51.9
|
0.8
|
|
C4
|
A:CFQ1537
|
4.9
|
47.1
|
0.2
|
|
CG
|
A:TYR334
|
5.0
|
33.2
|
0.8
|
|
CD2
|
A:TYR334
|
5.0
|
38.0
|
0.2
|
|
Fluorine binding site 7 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 7 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1538
b:55.9
occ:0.80
|
F1
|
A:CFQ1538
|
0.0
|
55.9
|
0.8
|
|
F1
|
A:CFQ1538
|
1.3
|
48.2
|
0.2
|
|
C14
|
A:CFQ1538
|
1.3
|
53.8
|
0.8
|
|
F3
|
A:CFQ1538
|
2.1
|
54.1
|
0.8
|
|
F2
|
A:CFQ1538
|
2.1
|
53.9
|
0.8
|
|
C14
|
A:CFQ1538
|
2.1
|
48.0
|
0.2
|
|
O3
|
A:CFQ1538
|
2.4
|
47.6
|
0.2
|
|
N2
|
A:CFQ1538
|
2.4
|
47.6
|
0.2
|
|
C8
|
A:CFQ1538
|
2.4
|
47.6
|
0.2
|
|
C6
|
A:CFQ1538
|
2.5
|
52.4
|
0.8
|
|
C7
|
A:CFQ1538
|
2.5
|
48.0
|
0.2
|
|
C6
|
A:CFQ1538
|
2.6
|
47.9
|
0.2
|
|
F3
|
A:CFQ1538
|
2.6
|
48.2
|
0.2
|
|
O3
|
A:CFQ1538
|
2.7
|
50.6
|
0.8
|
|
OH
|
A:TYR121
|
2.8
|
29.0
|
0.8
|
|
OH
|
A:TYR121
|
2.8
|
29.9
|
0.2
|
|
C7
|
A:CFQ1538
|
3.0
|
52.0
|
0.8
|
|
N2
|
A:CFQ1538
|
3.1
|
50.0
|
0.8
|
|
O1
|
A:CFQ1538
|
3.2
|
48.5
|
0.8
|
|
CE2
|
A:TYR121
|
3.2
|
30.1
|
0.2
|
|
CE2
|
A:TYR121
|
3.2
|
31.6
|
0.8
|
|
C8
|
A:CFQ1538
|
3.2
|
50.3
|
0.8
|
|
O1
|
A:CFQ1538
|
3.3
|
47.2
|
0.2
|
|
F2
|
A:CFQ1538
|
3.3
|
48.3
|
0.2
|
|
O2
|
A:CFQ1538
|
3.3
|
47.3
|
0.2
|
|
CZ
|
A:TYR121
|
3.4
|
30.8
|
0.8
|
|
CZ
|
A:TYR121
|
3.4
|
30.1
|
0.2
|
|
C9
|
A:CFQ1538
|
3.5
|
47.6
|
0.2
|
|
C12
|
A:CFQ1538
|
3.6
|
48.0
|
0.2
|
|
C10
|
A:CFQ1537
|
3.9
|
39.9
|
0.2
|
|
C10
|
A:CFQ1537
|
4.0
|
58.6
|
0.8
|
|
C12
|
A:CFQ1538
|
4.1
|
51.3
|
0.8
|
|
C
|
A:GLY118
|
4.1
|
29.4
|
0.2
|
|
O2
|
A:CFQ1538
|
4.1
|
49.8
|
0.8
|
|
O
|
A:GLY118
|
4.2
|
29.6
|
0.2
|
|
OG
|
A:SER122
|
4.3
|
28.0
|
0.8
|
|
O
|
A:HOH2279
|
4.4
|
23.9
|
0.2
|
|
C10
|
A:CFQ1538
|
4.4
|
47.9
|
0.2
|
|
N
|
A:GLY119
|
4.4
|
29.0
|
0.2
|
|
O
|
A:HOH2278
|
4.4
|
6.9
|
0.8
|
|
CA
|
A:GLY118
|
4.4
|
28.8
|
0.8
|
|
C11
|
A:CFQ1538
|
4.4
|
47.8
|
0.2
|
|
C9
|
A:CFQ1538
|
4.4
|
49.9
|
0.8
|
|
C9
|
A:CFQ1537
|
4.5
|
40.1
|
0.2
|
|
CA
|
A:GLY118
|
4.5
|
29.0
|
0.2
|
|
CD2
|
A:TYR121
|
4.5
|
34.5
|
0.8
|
|
CD2
|
A:TYR121
|
4.5
|
30.8
|
0.2
|
|
C5
|
A:CFQ1538
|
4.5
|
48.0
|
0.8
|
|
C
|
A:GLY118
|
4.5
|
29.2
|
0.8
|
|
C9
|
A:CFQ1537
|
4.6
|
58.0
|
0.8
|
|
C5
|
A:CFQ1538
|
4.7
|
47.9
|
0.2
|
|
CE1
|
A:TYR121
|
4.7
|
31.0
|
0.8
|
|
CE1
|
A:PHE290
|
4.7
|
26.2
|
0.8
|
|
CA
|
A:GLY119
|
4.7
|
29.0
|
0.2
|
|
C3
|
A:CFQ1538
|
4.7
|
51.5
|
0.8
|
|
OG
|
A:SER122
|
4.8
|
31.2
|
0.2
|
|
CE1
|
A:TYR121
|
4.8
|
30.3
|
0.2
|
|
CE1
|
A:PHE290
|
4.8
|
32.7
|
0.2
|
|
O
|
A:GLY118
|
4.8
|
28.8
|
0.8
|
|
C11
|
A:CFQ1537
|
4.9
|
39.9
|
0.2
|
|
N
|
A:GLY119
|
5.0
|
29.2
|
0.8
|
|
Fluorine binding site 8 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 8 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1538
b:48.2
occ:0.20
|
F1
|
A:CFQ1538
|
0.0
|
48.2
|
0.2
|
|
C14
|
A:CFQ1538
|
0.9
|
53.8
|
0.8
|
|
F2
|
A:CFQ1538
|
1.0
|
53.9
|
0.8
|
|
F1
|
A:CFQ1538
|
1.3
|
55.9
|
0.8
|
|
C14
|
A:CFQ1538
|
1.3
|
48.0
|
0.2
|
|
F3
|
A:CFQ1538
|
1.6
|
54.1
|
0.8
|
|
F3
|
A:CFQ1538
|
2.1
|
48.2
|
0.2
|
|
F2
|
A:CFQ1538
|
2.1
|
48.3
|
0.2
|
|
C6
|
A:CFQ1538
|
2.4
|
52.4
|
0.8
|
|
C6
|
A:CFQ1538
|
2.4
|
47.9
|
0.2
|
|
O3
|
A:CFQ1538
|
2.7
|
47.6
|
0.2
|
|
O1
|
A:CFQ1538
|
3.0
|
47.2
|
0.2
|
|
C7
|
A:CFQ1538
|
3.1
|
48.0
|
0.2
|
|
O1
|
A:CFQ1538
|
3.1
|
48.5
|
0.8
|
|
C
|
A:GLY118
|
3.2
|
29.4
|
0.2
|
|
N2
|
A:CFQ1538
|
3.2
|
47.6
|
0.2
|
|
N
|
A:GLY119
|
3.3
|
29.0
|
0.2
|
|
C8
|
A:CFQ1538
|
3.4
|
47.6
|
0.2
|
|
CA
|
A:GLY118
|
3.5
|
29.0
|
0.2
|
|
C7
|
A:CFQ1538
|
3.5
|
52.0
|
0.8
|
|
O3
|
A:CFQ1538
|
3.6
|
50.6
|
0.8
|
|
CE2
|
A:TYR121
|
3.6
|
30.1
|
0.2
|
|
CA
|
A:GLY118
|
3.6
|
28.8
|
0.8
|
|
CE2
|
A:TYR121
|
3.6
|
31.6
|
0.8
|
|
O
|
A:GLY118
|
3.6
|
29.6
|
0.2
|
|
C
|
A:GLY118
|
3.7
|
29.2
|
0.8
|
|
C3
|
A:CFQ1538
|
3.7
|
51.5
|
0.8
|
|
OH
|
A:TYR121
|
3.9
|
29.0
|
0.8
|
|
OH
|
A:TYR121
|
3.9
|
29.9
|
0.2
|
|
CA
|
A:GLY119
|
3.9
|
29.0
|
0.2
|
|
N
|
A:GLY119
|
4.0
|
29.2
|
0.8
|
|
C8
|
A:CFQ1538
|
4.2
|
50.3
|
0.8
|
|
CZ
|
A:TYR121
|
4.2
|
30.8
|
0.8
|
|
N2
|
A:CFQ1538
|
4.2
|
50.0
|
0.8
|
|
C12
|
A:CFQ1538
|
4.2
|
48.0
|
0.2
|
|
CZ
|
A:TYR121
|
4.2
|
30.1
|
0.2
|
|
O2
|
A:CFQ1538
|
4.3
|
47.3
|
0.2
|
|
O
|
A:GLY118
|
4.3
|
28.8
|
0.8
|
|
C5
|
A:CFQ1538
|
4.3
|
48.0
|
0.8
|
|
C5
|
A:CFQ1538
|
4.4
|
47.9
|
0.2
|
|
CE1
|
A:PHE290
|
4.4
|
26.2
|
0.8
|
|
C12
|
A:CFQ1538
|
4.5
|
51.3
|
0.8
|
|
CE1
|
A:PHE290
|
4.5
|
32.7
|
0.2
|
|
CZ
|
A:PHE290
|
4.5
|
32.5
|
0.2
|
|
OG
|
A:SER122
|
4.5
|
28.0
|
0.8
|
|
CD2
|
A:TYR121
|
4.6
|
34.5
|
0.8
|
|
CD2
|
A:TYR121
|
4.6
|
30.8
|
0.2
|
|
C9
|
A:CFQ1538
|
4.7
|
47.6
|
0.2
|
|
CZ
|
A:PHE290
|
4.7
|
25.9
|
0.8
|
|
O
|
A:HOH2279
|
4.7
|
23.9
|
0.2
|
|
N
|
A:GLY118
|
4.7
|
28.6
|
0.8
|
|
CA
|
A:GLY119
|
4.7
|
31.4
|
0.8
|
|
O
|
A:HOH2278
|
4.7
|
6.9
|
0.8
|
|
AS
|
A:CFQ1538
|
4.8
|
50.1
|
0.8
|
|
C3
|
A:CFQ1538
|
4.8
|
49.8
|
0.2
|
|
CZ
|
A:PHE331
|
4.9
|
42.9
|
0.8
|
|
C10
|
A:CFQ1537
|
4.9
|
39.9
|
0.2
|
|
N
|
A:GLY118
|
4.9
|
28.9
|
0.2
|
|
C1
|
A:CFQ1538
|
4.9
|
50.7
|
0.8
|
|
CE2
|
A:PHE331
|
4.9
|
41.6
|
0.8
|
|
C10
|
A:CFQ1537
|
4.9
|
58.6
|
0.8
|
|
Fluorine binding site 9 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 9 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1538
b:53.9
occ:0.80
|
F2
|
A:CFQ1538
|
0.0
|
53.9
|
0.8
|
|
F1
|
A:CFQ1538
|
1.0
|
48.2
|
0.2
|
|
C14
|
A:CFQ1538
|
1.3
|
53.8
|
0.8
|
|
C14
|
A:CFQ1538
|
1.4
|
48.0
|
0.2
|
|
F2
|
A:CFQ1538
|
1.6
|
48.3
|
0.2
|
|
F1
|
A:CFQ1538
|
2.1
|
55.9
|
0.8
|
|
F3
|
A:CFQ1538
|
2.1
|
54.1
|
0.8
|
|
C6
|
A:CFQ1538
|
2.4
|
47.9
|
0.2
|
|
C6
|
A:CFQ1538
|
2.4
|
52.4
|
0.8
|
|
O1
|
A:CFQ1538
|
2.5
|
47.2
|
0.2
|
|
O3
|
A:CFQ1538
|
2.6
|
47.6
|
0.2
|
|
F3
|
A:CFQ1538
|
2.6
|
48.2
|
0.2
|
|
C3
|
A:CFQ1538
|
2.7
|
51.5
|
0.8
|
|
O1
|
A:CFQ1538
|
2.8
|
48.5
|
0.8
|
|
CA
|
A:GLY118
|
2.9
|
29.0
|
0.2
|
|
C
|
A:GLY118
|
3.1
|
29.4
|
0.2
|
|
CA
|
A:GLY118
|
3.2
|
28.8
|
0.8
|
|
N
|
A:GLY119
|
3.3
|
29.0
|
0.2
|
|
C7
|
A:CFQ1538
|
3.4
|
48.0
|
0.2
|
|
N2
|
A:CFQ1538
|
3.4
|
47.6
|
0.2
|
|
C
|
A:GLY118
|
3.7
|
29.2
|
0.8
|
|
O
|
A:GLY118
|
3.7
|
29.6
|
0.2
|
|
C8
|
A:CFQ1538
|
3.8
|
47.6
|
0.2
|
|
C5
|
A:CFQ1538
|
3.8
|
48.0
|
0.8
|
|
C7
|
A:CFQ1538
|
3.8
|
52.0
|
0.8
|
|
C5
|
A:CFQ1538
|
3.8
|
47.9
|
0.2
|
|
O3
|
A:CFQ1538
|
3.8
|
50.6
|
0.8
|
|
C3
|
A:CFQ1538
|
3.9
|
49.8
|
0.2
|
|
N
|
A:GLY119
|
3.9
|
29.2
|
0.8
|
|
AS
|
A:CFQ1538
|
3.9
|
50.1
|
0.8
|
|
N
|
A:GLY118
|
4.1
|
28.6
|
0.8
|
|
CA
|
A:GLY119
|
4.2
|
29.0
|
0.2
|
|
N
|
A:GLY118
|
4.3
|
28.9
|
0.2
|
|
C1
|
A:CFQ1538
|
4.3
|
50.7
|
0.8
|
|
CE2
|
A:TYR121
|
4.4
|
30.1
|
0.2
|
|
O
|
A:GLY118
|
4.5
|
28.8
|
0.8
|
|
O2
|
A:CFQ1538
|
4.5
|
47.3
|
0.2
|
|
C4
|
A:CFQ1538
|
4.5
|
50.4
|
0.8
|
|
CE2
|
A:TYR121
|
4.5
|
31.6
|
0.8
|
|
C8
|
A:CFQ1538
|
4.6
|
50.3
|
0.8
|
|
N2
|
A:CFQ1538
|
4.6
|
50.0
|
0.8
|
|
C12
|
A:CFQ1538
|
4.6
|
48.0
|
0.2
|
|
O
|
A:HOH2279
|
4.7
|
23.9
|
0.2
|
|
C4
|
A:CFQ1538
|
4.7
|
49.1
|
0.2
|
|
AS
|
A:CFQ1538
|
4.7
|
50.1
|
0.2
|
|
OH
|
A:TYR121
|
4.7
|
29.9
|
0.2
|
|
O
|
A:HOH2278
|
4.7
|
6.9
|
0.8
|
|
C12
|
A:CFQ1538
|
4.8
|
51.3
|
0.8
|
|
OH
|
A:TYR121
|
4.8
|
29.0
|
0.8
|
|
OG
|
A:SER200
|
4.8
|
27.4
|
0.2
|
|
OG
|
A:SER200
|
4.8
|
17.8
|
0.8
|
|
CZ
|
A:PHE331
|
4.8
|
42.9
|
0.8
|
|
CA
|
A:GLY119
|
4.9
|
31.4
|
0.8
|
|
OG
|
A:SER122
|
4.9
|
28.0
|
0.8
|
|
CZ
|
A:PHE290
|
4.9
|
32.5
|
0.2
|
|
Fluorine binding site 10 out
of 24 in 2v98
Go back to
Fluorine Binding Sites List in 2v98
Fluorine binding site 10 out
of 24 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1538
b:48.3
occ:0.20
|
F2
|
A:CFQ1538
|
0.0
|
48.3
|
0.2
|
|
C14
|
A:CFQ1538
|
1.3
|
48.0
|
0.2
|
|
F2
|
A:CFQ1538
|
1.6
|
53.9
|
0.8
|
|
C14
|
A:CFQ1538
|
2.0
|
53.8
|
0.8
|
|
F3
|
A:CFQ1538
|
2.0
|
54.1
|
0.8
|
|
F1
|
A:CFQ1538
|
2.1
|
48.2
|
0.2
|
|
F3
|
A:CFQ1538
|
2.1
|
48.2
|
0.2
|
|
C6
|
A:CFQ1538
|
2.4
|
47.9
|
0.2
|
|
C6
|
A:CFQ1538
|
2.6
|
52.4
|
0.8
|
|
C3
|
A:CFQ1538
|
2.8
|
51.5
|
0.8
|
|
O1
|
A:CFQ1538
|
2.8
|
47.2
|
0.2
|
|
O1
|
A:CFQ1538
|
3.2
|
48.5
|
0.8
|
|
F1
|
A:CFQ1538
|
3.3
|
55.9
|
0.8
|
|
CZ
|
A:PHE331
|
3.5
|
42.9
|
0.8
|
|
N
|
A:GLY119
|
3.5
|
29.0
|
0.2
|
|
CA
|
A:GLY118
|
3.7
|
29.0
|
0.2
|
|
NE2
|
A:HIS440
|
3.8
|
25.2
|
0.8
|
|
OG
|
A:SER200
|
3.8
|
17.8
|
0.8
|
|
C5
|
A:CFQ1538
|
3.8
|
47.9
|
0.2
|
|
C5
|
A:CFQ1538
|
3.8
|
48.0
|
0.8
|
|
C7
|
A:CFQ1538
|
3.9
|
48.0
|
0.2
|
|
C
|
A:GLY118
|
3.9
|
29.4
|
0.2
|
|
CD2
|
A:HIS440
|
3.9
|
27.8
|
0.8
|
|
OG
|
A:SER200
|
3.9
|
27.4
|
0.2
|
|
NE2
|
A:HIS440
|
3.9
|
34.7
|
0.2
|
|
C3
|
A:CFQ1538
|
4.0
|
49.8
|
0.2
|
|
C7
|
A:CFQ1538
|
4.0
|
52.0
|
0.8
|
|
O3
|
A:CFQ1538
|
4.0
|
47.6
|
0.2
|
|
N
|
A:GLY119
|
4.1
|
29.2
|
0.8
|
|
CE2
|
A:PHE331
|
4.1
|
41.6
|
0.8
|
|
CZ
|
A:PHE331
|
4.1
|
36.5
|
0.2
|
|
CD2
|
A:HIS440
|
4.1
|
35.0
|
0.2
|
|
CE2
|
A:PHE331
|
4.2
|
36.2
|
0.2
|
|
CA
|
A:GLY118
|
4.2
|
28.8
|
0.8
|
|
CZ
|
A:PHE290
|
4.2
|
32.5
|
0.2
|
|
CA
|
A:GLY119
|
4.3
|
29.0
|
0.2
|
|
AS
|
A:CFQ1538
|
4.4
|
50.1
|
0.8
|
|
CZ
|
A:PHE290
|
4.4
|
25.9
|
0.8
|
|
C
|
A:GLY118
|
4.4
|
29.2
|
0.8
|
|
CE1
|
A:PHE331
|
4.5
|
42.2
|
0.8
|
|
C12
|
A:CFQ1538
|
4.6
|
51.3
|
0.8
|
|
CE1
|
A:PHE288
|
4.6
|
36.4
|
0.2
|
|
N
|
A:GLY118
|
4.7
|
28.6
|
0.8
|
|
C8
|
A:CFQ1538
|
4.7
|
47.6
|
0.2
|
|
N
|
A:GLY118
|
4.8
|
28.9
|
0.2
|
|
C4
|
A:CFQ1538
|
4.8
|
50.4
|
0.8
|
|
C12
|
A:CFQ1538
|
4.8
|
48.0
|
0.2
|
|
O
|
A:GLY118
|
4.8
|
29.6
|
0.2
|
|
N2
|
A:CFQ1538
|
4.8
|
47.6
|
0.2
|
|
CE1
|
A:PHE290
|
4.8
|
32.7
|
0.2
|
|
CE1
|
A:PHE290
|
4.8
|
26.2
|
0.8
|
|
CB
|
A:SER200
|
4.8
|
17.9
|
0.8
|
|
CA
|
A:GLY119
|
4.9
|
31.4
|
0.8
|
|
Reference:
J.-P.Colletier,
A.Royant,
A.Specht,
B.Sanson,
F.Nachon,
P.Masson,
G.Zaccai,
J.L.Sussman,
M.Goeldner,
I.Silman,
D.Bourgeois,
M.Weik.
Use of A 'Caged' Analog to Study Traffic of Choline Within Acetylcholinesterase By Kinetic Crystallography Acta Crystallogr.,Sect.D V. 63 1115 2007.
ISSN: ISSN 0907-4449
PubMed: 18007027
DOI: 10.1107/S0907444907044472
Page generated: Sun Dec 13 11:40:15 2020
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