Fluorine in PDB 2v96: Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
Enzymatic activity of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
All present enzymatic activity of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K:
3.1.1.7;
Protein crystallography data
The structure of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K, PDB code: 2v96
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)
|
19.96 /
2.40
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
91.420,
103.640,
147.310,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.9 /
24.2
|
Other elements in 2v96:
The structure of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K 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 Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
(pdb code 2v96). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K, PDB code: 2v96:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 1 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1536
b:39.4
occ:1.00
|
F1
|
A:CFQ1536
|
0.0
|
39.4
|
1.0
|
C14
|
A:CFQ1536
|
1.3
|
36.9
|
1.0
|
F3
|
A:CFQ1536
|
2.1
|
39.1
|
1.0
|
F2
|
A:CFQ1536
|
2.1
|
38.7
|
1.0
|
C6
|
A:CFQ1536
|
2.4
|
35.6
|
1.0
|
N
|
A:GLY335
|
3.0
|
29.5
|
1.0
|
C7
|
A:CFQ1536
|
3.1
|
34.5
|
1.0
|
CA
|
A:GLY335
|
3.2
|
29.4
|
1.0
|
C
|
A:TYR334
|
3.3
|
29.7
|
1.0
|
CB
|
A:TYR334
|
3.4
|
28.2
|
1.0
|
O
|
A:PHE331
|
3.6
|
28.9
|
1.0
|
O1
|
A:CFQ1536
|
3.6
|
32.6
|
1.0
|
O3
|
A:CFQ1536
|
3.6
|
35.8
|
1.0
|
C8
|
A:CFQ1536
|
3.7
|
35.2
|
1.0
|
O
|
A:TYR334
|
3.8
|
30.0
|
1.0
|
C12
|
A:CFQ1536
|
3.8
|
34.2
|
1.0
|
CG1
|
A:ILE287
|
3.9
|
32.1
|
0.5
|
CA
|
A:TYR334
|
3.9
|
29.6
|
1.0
|
N2
|
A:CFQ1536
|
4.0
|
35.4
|
1.0
|
CG2
|
A:ILE287
|
4.0
|
31.5
|
0.5
|
CB
|
A:ILE287
|
4.5
|
30.1
|
0.5
|
C
|
A:GLY335
|
4.5
|
29.0
|
1.0
|
CD1
|
A:ILE287
|
4.6
|
32.2
|
0.5
|
C
|
A:PHE331
|
4.6
|
29.8
|
1.0
|
N
|
A:TYR334
|
4.7
|
30.8
|
1.0
|
CG
|
A:TYR334
|
4.8
|
27.3
|
1.0
|
O
|
A:HOH2332
|
4.8
|
53.5
|
1.0
|
C5
|
A:CFQ1536
|
4.8
|
34.5
|
1.0
|
C9
|
A:CFQ1536
|
4.8
|
33.8
|
1.0
|
CB
|
A:ILE287
|
4.8
|
31.3
|
0.5
|
CA
|
A:ILE287
|
4.9
|
30.5
|
0.5
|
CA
|
A:ILE287
|
4.9
|
30.9
|
0.5
|
C11
|
A:CFQ1536
|
4.9
|
33.6
|
1.0
|
CA
|
A:PHE331
|
5.0
|
30.0
|
1.0
|
C11
|
A:CFQ1537
|
5.0
|
44.9
|
1.0
|
|
Fluorine binding site 2 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 2 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1536
b:38.7
occ:1.00
|
F2
|
A:CFQ1536
|
0.0
|
38.7
|
1.0
|
C14
|
A:CFQ1536
|
1.3
|
36.9
|
1.0
|
F1
|
A:CFQ1536
|
2.1
|
39.4
|
1.0
|
F3
|
A:CFQ1536
|
2.1
|
39.1
|
1.0
|
C6
|
A:CFQ1536
|
2.4
|
35.6
|
1.0
|
O1
|
A:CFQ1536
|
2.8
|
32.6
|
1.0
|
O
|
A:HOH2332
|
3.1
|
53.5
|
1.0
|
O
|
A:TYR334
|
3.1
|
30.0
|
1.0
|
C7
|
A:CFQ1536
|
3.2
|
34.5
|
1.0
|
C12
|
A:CFQ1536
|
3.3
|
34.2
|
1.0
|
C
|
A:TYR334
|
3.4
|
29.7
|
1.0
|
C3
|
A:CFQ1536
|
3.6
|
35.6
|
1.0
|
CA
|
A:GLY335
|
3.6
|
29.4
|
1.0
|
N
|
A:GLY335
|
3.6
|
29.5
|
1.0
|
CB
|
A:TYR334
|
3.8
|
28.2
|
1.0
|
CA
|
A:TYR334
|
4.2
|
29.6
|
1.0
|
C5
|
A:CFQ1536
|
4.2
|
34.5
|
1.0
|
C8
|
A:CFQ1536
|
4.4
|
35.2
|
1.0
|
C11
|
A:CFQ1536
|
4.5
|
33.6
|
1.0
|
CG
|
A:TYR334
|
4.8
|
27.3
|
1.0
|
CD2
|
A:TYR334
|
4.9
|
26.9
|
1.0
|
AS
|
A:CFQ1536
|
4.9
|
37.1
|
1.0
|
O3
|
A:CFQ1536
|
5.0
|
35.8
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 3 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1536
b:39.1
occ:1.00
|
F3
|
A:CFQ1536
|
0.0
|
39.1
|
1.0
|
C14
|
A:CFQ1536
|
1.3
|
36.9
|
1.0
|
F1
|
A:CFQ1536
|
2.1
|
39.4
|
1.0
|
F2
|
A:CFQ1536
|
2.1
|
38.7
|
1.0
|
C6
|
A:CFQ1536
|
2.4
|
35.6
|
1.0
|
O1
|
A:CFQ1536
|
2.9
|
32.6
|
1.0
|
CA
|
A:GLY335
|
3.1
|
29.4
|
1.0
|
O
|
A:HOH2301
|
3.2
|
55.3
|
1.0
|
N
|
A:GLY335
|
3.7
|
29.5
|
1.0
|
O
|
A:HOH2333
|
3.7
|
24.5
|
1.0
|
O
|
A:SER286
|
3.8
|
35.3
|
1.0
|
CD1
|
A:ILE287
|
3.8
|
32.2
|
0.5
|
CG2
|
A:ILE287
|
3.8
|
31.5
|
0.5
|
C7
|
A:CFQ1536
|
3.8
|
34.5
|
1.0
|
CG1
|
A:ILE287
|
3.9
|
32.1
|
0.5
|
C5
|
A:CFQ1536
|
3.9
|
34.5
|
1.0
|
C
|
A:GLY335
|
4.1
|
29.0
|
1.0
|
C
|
A:TYR334
|
4.2
|
29.7
|
1.0
|
O
|
A:TYR334
|
4.2
|
30.0
|
1.0
|
O
|
A:GLY335
|
4.2
|
29.3
|
1.0
|
O3
|
A:CFQ1536
|
4.3
|
35.8
|
1.0
|
C3
|
A:CFQ1536
|
4.3
|
35.6
|
1.0
|
C12
|
A:CFQ1536
|
4.6
|
34.2
|
1.0
|
CB
|
A:ILE287
|
4.7
|
30.1
|
0.5
|
CA
|
A:ILE287
|
4.8
|
30.5
|
0.5
|
C4
|
A:CFQ1536
|
4.8
|
33.5
|
1.0
|
C8
|
A:CFQ1536
|
4.8
|
35.2
|
1.0
|
C
|
A:SER286
|
4.8
|
34.0
|
1.0
|
CA
|
A:ILE287
|
4.9
|
30.9
|
0.5
|
O
|
A:HOH2332
|
4.9
|
53.5
|
1.0
|
N2
|
A:CFQ1536
|
5.0
|
35.4
|
1.0
|
CB
|
A:ILE287
|
5.0
|
31.3
|
0.5
|
|
Fluorine binding site 4 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 4 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1537
b:45.9
occ:1.00
|
F1
|
A:CFQ1537
|
0.0
|
45.9
|
1.0
|
C14
|
A:CFQ1537
|
1.3
|
46.6
|
1.0
|
F2
|
A:CFQ1537
|
2.1
|
46.6
|
1.0
|
F3
|
A:CFQ1537
|
2.1
|
47.2
|
1.0
|
C6
|
A:CFQ1537
|
2.4
|
46.5
|
1.0
|
C7
|
A:CFQ1537
|
2.8
|
46.7
|
1.0
|
C9
|
A:CFQ1536
|
3.4
|
33.8
|
1.0
|
CE1
|
A:PHE290
|
3.4
|
23.1
|
1.0
|
C12
|
A:CFQ1537
|
3.5
|
46.2
|
1.0
|
C8
|
A:CFQ1537
|
3.5
|
48.2
|
1.0
|
CE2
|
A:TYR121
|
3.5
|
19.4
|
1.0
|
O1
|
A:CFQ1537
|
3.6
|
44.6
|
1.0
|
CZ
|
A:PHE290
|
3.8
|
23.0
|
1.0
|
O3
|
A:CFQ1537
|
3.8
|
52.0
|
1.0
|
C10
|
A:CFQ1536
|
3.9
|
33.5
|
1.0
|
CE2
|
A:PHE331
|
3.9
|
30.8
|
1.0
|
N2
|
A:CFQ1537
|
4.0
|
51.0
|
1.0
|
OH
|
A:TYR121
|
4.0
|
22.8
|
1.0
|
O2
|
A:CFQ1536
|
4.0
|
39.8
|
1.0
|
CZ
|
A:TYR121
|
4.2
|
20.9
|
1.0
|
CZ
|
A:PHE331
|
4.3
|
28.9
|
1.0
|
CD1
|
A:PHE290
|
4.4
|
23.4
|
1.0
|
C11
|
A:CFQ1537
|
4.5
|
44.9
|
1.0
|
C9
|
A:CFQ1537
|
4.5
|
44.5
|
1.0
|
CD2
|
A:TYR121
|
4.5
|
19.4
|
1.0
|
C8
|
A:CFQ1536
|
4.6
|
35.2
|
1.0
|
N2
|
A:CFQ1536
|
4.7
|
35.4
|
1.0
|
N
|
A:GLY119
|
4.8
|
25.4
|
1.0
|
CD2
|
A:PHE331
|
4.8
|
29.9
|
1.0
|
C5
|
A:CFQ1537
|
4.8
|
45.2
|
1.0
|
C
|
A:GLY118
|
4.9
|
26.2
|
1.0
|
C10
|
A:CFQ1537
|
4.9
|
46.7
|
1.0
|
O2
|
A:CFQ1537
|
5.0
|
53.5
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 5 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1537
b:46.6
occ:1.00
|
F2
|
A:CFQ1537
|
0.0
|
46.6
|
1.0
|
C14
|
A:CFQ1537
|
1.3
|
46.6
|
1.0
|
F1
|
A:CFQ1537
|
2.1
|
45.9
|
1.0
|
F3
|
A:CFQ1537
|
2.1
|
47.2
|
1.0
|
C6
|
A:CFQ1537
|
2.4
|
46.5
|
1.0
|
O3
|
A:CFQ1537
|
2.6
|
52.0
|
1.0
|
O1
|
A:CFQ1537
|
2.7
|
44.6
|
1.0
|
C7
|
A:CFQ1537
|
3.4
|
46.7
|
1.0
|
N2
|
A:CFQ1537
|
3.4
|
51.0
|
1.0
|
CA
|
A:GLY118
|
3.6
|
25.9
|
1.0
|
C1
|
A:CFQ1537
|
3.7
|
43.8
|
1.0
|
C8
|
A:CFQ1537
|
3.7
|
48.2
|
1.0
|
C
|
A:GLY118
|
3.8
|
26.2
|
1.0
|
CE2
|
A:TYR121
|
3.9
|
19.4
|
1.0
|
OH
|
A:TYR121
|
4.0
|
22.8
|
1.0
|
C5
|
A:CFQ1537
|
4.1
|
45.2
|
1.0
|
N
|
A:GLY119
|
4.1
|
25.4
|
1.0
|
C3
|
A:CFQ1537
|
4.1
|
42.6
|
1.0
|
O
|
A:GLY118
|
4.2
|
28.4
|
1.0
|
CZ
|
A:TYR121
|
4.3
|
20.9
|
1.0
|
O
|
A:HOH2155
|
4.3
|
20.6
|
1.0
|
OG
|
A:SER122
|
4.4
|
23.5
|
1.0
|
AS
|
A:CFQ1537
|
4.4
|
42.6
|
1.0
|
O2
|
A:CFQ1537
|
4.4
|
53.5
|
1.0
|
C12
|
A:CFQ1537
|
4.6
|
46.2
|
1.0
|
C4
|
A:CFQ1537
|
4.8
|
42.9
|
1.0
|
CD2
|
A:TYR121
|
4.9
|
19.4
|
1.0
|
N
|
A:GLY118
|
4.9
|
26.9
|
1.0
|
CA
|
A:GLY119
|
4.9
|
23.8
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 6 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1537
b:47.2
occ:1.00
|
F3
|
A:CFQ1537
|
0.0
|
47.2
|
1.0
|
C14
|
A:CFQ1537
|
1.3
|
46.6
|
1.0
|
F1
|
A:CFQ1537
|
2.1
|
45.9
|
1.0
|
F2
|
A:CFQ1537
|
2.1
|
46.6
|
1.0
|
C6
|
A:CFQ1537
|
2.4
|
46.5
|
1.0
|
O1
|
A:CFQ1537
|
3.2
|
44.6
|
1.0
|
C1
|
A:CFQ1537
|
3.4
|
43.8
|
1.0
|
CZ
|
A:PHE331
|
3.6
|
28.9
|
1.0
|
O
|
A:HOH2235
|
3.7
|
23.5
|
1.0
|
C7
|
A:CFQ1537
|
3.7
|
46.7
|
1.0
|
N
|
A:GLY119
|
3.8
|
25.4
|
1.0
|
CZ
|
A:PHE290
|
3.8
|
23.0
|
1.0
|
CE2
|
A:PHE331
|
3.8
|
30.8
|
1.0
|
CE1
|
A:PHE290
|
4.2
|
23.1
|
1.0
|
C
|
A:GLY118
|
4.2
|
26.2
|
1.0
|
C5
|
A:CFQ1537
|
4.2
|
45.2
|
1.0
|
CA
|
A:GLY118
|
4.3
|
25.9
|
1.0
|
OG
|
A:SER200
|
4.3
|
22.4
|
1.0
|
CA
|
A:GLY119
|
4.4
|
23.8
|
1.0
|
C12
|
A:CFQ1537
|
4.4
|
46.2
|
1.0
|
O3
|
A:CFQ1537
|
4.5
|
52.0
|
1.0
|
NE2
|
A:HIS440
|
4.6
|
26.4
|
1.0
|
CD2
|
A:HIS440
|
4.7
|
27.0
|
1.0
|
CE2
|
A:PHE290
|
4.7
|
23.6
|
1.0
|
C8
|
A:CFQ1537
|
4.7
|
48.2
|
1.0
|
CE1
|
A:PHE331
|
4.8
|
30.3
|
1.0
|
CE2
|
A:TYR121
|
4.9
|
19.4
|
1.0
|
O
|
A:GLY118
|
5.0
|
28.4
|
1.0
|
AS
|
A:CFQ1537
|
5.0
|
42.6
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 7 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1536
b:38.8
occ:1.00
|
F1
|
B:CFQ1536
|
0.0
|
38.8
|
1.0
|
C14
|
B:CFQ1536
|
1.3
|
41.0
|
1.0
|
F2
|
B:CFQ1536
|
2.1
|
41.6
|
1.0
|
F3
|
B:CFQ1536
|
2.2
|
40.8
|
1.0
|
C6
|
B:CFQ1536
|
2.4
|
41.2
|
1.0
|
C7
|
B:CFQ1536
|
3.1
|
40.6
|
1.0
|
N
|
B:GLY335
|
3.2
|
26.6
|
1.0
|
CG1
|
B:ILE287
|
3.4
|
36.9
|
0.5
|
CA
|
B:GLY335
|
3.4
|
26.4
|
1.0
|
CB
|
B:TYR334
|
3.5
|
27.5
|
1.0
|
O3
|
B:CFQ1536
|
3.5
|
44.4
|
1.0
|
C
|
B:TYR334
|
3.6
|
25.8
|
1.0
|
O1
|
B:CFQ1536
|
3.6
|
42.2
|
1.0
|
CG2
|
B:ILE287
|
3.6
|
33.9
|
0.5
|
O
|
B:PHE331
|
3.6
|
21.0
|
1.0
|
C8
|
B:CFQ1536
|
3.7
|
41.2
|
1.0
|
CD1
|
B:ILE287
|
3.7
|
37.7
|
0.5
|
N2
|
B:CFQ1536
|
3.9
|
41.3
|
1.0
|
C12
|
B:CFQ1536
|
3.9
|
39.8
|
1.0
|
CA
|
B:TYR334
|
4.1
|
25.8
|
1.0
|
O
|
B:TYR334
|
4.2
|
26.5
|
1.0
|
CB
|
B:ILE287
|
4.3
|
33.8
|
0.5
|
CB
|
B:ILE287
|
4.5
|
36.7
|
0.5
|
CA
|
B:ILE287
|
4.6
|
34.6
|
0.5
|
CA
|
B:ILE287
|
4.6
|
36.0
|
0.5
|
C
|
B:PHE331
|
4.7
|
22.8
|
1.0
|
O
|
B:SER286
|
4.7
|
40.6
|
1.0
|
CG
|
B:TYR334
|
4.7
|
30.4
|
1.0
|
C
|
B:GLY335
|
4.8
|
27.3
|
1.0
|
C5
|
B:CFQ1536
|
4.8
|
42.0
|
1.0
|
C9
|
B:CFQ1536
|
4.9
|
41.0
|
1.0
|
CG2
|
B:ILE287
|
4.9
|
36.9
|
0.5
|
O2
|
B:CFQ1536
|
4.9
|
45.3
|
1.0
|
N
|
B:TYR334
|
4.9
|
25.4
|
1.0
|
CA
|
B:PHE331
|
4.9
|
23.1
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 8 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1536
b:41.6
occ:1.00
|
F2
|
B:CFQ1536
|
0.0
|
41.6
|
1.0
|
C14
|
B:CFQ1536
|
1.3
|
41.0
|
1.0
|
F3
|
B:CFQ1536
|
2.1
|
40.8
|
1.0
|
F1
|
B:CFQ1536
|
2.1
|
38.8
|
1.0
|
C6
|
B:CFQ1536
|
2.4
|
41.2
|
1.0
|
O1
|
B:CFQ1536
|
2.8
|
42.2
|
1.0
|
C7
|
B:CFQ1536
|
3.1
|
40.6
|
1.0
|
C12
|
B:CFQ1536
|
3.2
|
39.8
|
1.0
|
O
|
B:TYR334
|
3.4
|
26.5
|
1.0
|
C
|
B:TYR334
|
3.5
|
25.8
|
1.0
|
O
|
B:HOH2097
|
3.6
|
51.5
|
1.0
|
N
|
B:GLY335
|
3.7
|
26.6
|
1.0
|
CA
|
B:GLY335
|
3.7
|
26.4
|
1.0
|
CB
|
B:TYR334
|
3.7
|
27.5
|
1.0
|
O
|
B:HOH2033
|
3.8
|
35.2
|
1.0
|
C3
|
B:CFQ1536
|
3.9
|
39.6
|
1.0
|
CA
|
B:TYR334
|
4.2
|
25.8
|
1.0
|
C5
|
B:CFQ1536
|
4.3
|
42.0
|
1.0
|
C8
|
B:CFQ1536
|
4.3
|
41.2
|
1.0
|
C11
|
B:CFQ1536
|
4.4
|
39.4
|
1.0
|
O
|
B:HOH2325
|
4.5
|
42.7
|
1.0
|
CD2
|
B:TYR334
|
4.7
|
29.8
|
1.0
|
CG
|
B:TYR334
|
4.7
|
30.4
|
1.0
|
O3
|
B:CFQ1536
|
4.9
|
44.4
|
1.0
|
AS
|
B:CFQ1536
|
4.9
|
42.5
|
1.0
|
CD1
|
B:ILE287
|
5.0
|
37.7
|
0.5
|
|
Fluorine binding site 9 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 9 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1536
b:40.8
occ:1.00
|
F3
|
B:CFQ1536
|
0.0
|
40.8
|
1.0
|
C14
|
B:CFQ1536
|
1.3
|
41.0
|
1.0
|
F2
|
B:CFQ1536
|
2.1
|
41.6
|
1.0
|
F1
|
B:CFQ1536
|
2.2
|
38.8
|
1.0
|
C6
|
B:CFQ1536
|
2.4
|
41.2
|
1.0
|
O1
|
B:CFQ1536
|
2.8
|
42.2
|
1.0
|
CD1
|
B:ILE287
|
3.1
|
37.7
|
0.5
|
O
|
B:HOH2325
|
3.3
|
42.7
|
1.0
|
CA
|
B:GLY335
|
3.4
|
26.4
|
1.0
|
O
|
B:SER286
|
3.6
|
40.6
|
1.0
|
CG2
|
B:ILE287
|
3.6
|
33.9
|
0.5
|
CG1
|
B:ILE287
|
3.7
|
36.9
|
0.5
|
C7
|
B:CFQ1536
|
3.8
|
40.6
|
1.0
|
C5
|
B:CFQ1536
|
3.9
|
42.0
|
1.0
|
N
|
B:GLY335
|
3.9
|
26.6
|
1.0
|
O3
|
B:CFQ1536
|
4.3
|
44.4
|
1.0
|
C3
|
B:CFQ1536
|
4.4
|
39.6
|
1.0
|
C
|
B:TYR334
|
4.4
|
25.8
|
1.0
|
C
|
B:GLY335
|
4.5
|
27.3
|
1.0
|
O
|
B:TYR334
|
4.5
|
26.5
|
1.0
|
C
|
B:SER286
|
4.5
|
38.4
|
1.0
|
C12
|
B:CFQ1536
|
4.6
|
39.8
|
1.0
|
O
|
B:GLY335
|
4.6
|
28.9
|
1.0
|
CA
|
B:ILE287
|
4.6
|
34.6
|
0.5
|
CB
|
B:ILE287
|
4.6
|
33.8
|
0.5
|
CA
|
B:ILE287
|
4.7
|
36.0
|
0.5
|
C4
|
B:CFQ1536
|
4.7
|
41.2
|
1.0
|
C8
|
B:CFQ1536
|
4.8
|
41.2
|
1.0
|
CB
|
B:ILE287
|
4.8
|
36.7
|
0.5
|
O
|
B:HOH2290
|
4.9
|
48.6
|
1.0
|
N2
|
B:CFQ1536
|
5.0
|
41.3
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 2v96
Go back to
Fluorine Binding Sites List in 2v96
Fluorine binding site 10 out
of 12 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K
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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine at 100K within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1537
b:42.9
occ:1.00
|
F1
|
B:CFQ1537
|
0.0
|
42.9
|
1.0
|
C14
|
B:CFQ1537
|
1.3
|
41.9
|
1.0
|
F2
|
B:CFQ1537
|
2.1
|
42.2
|
1.0
|
F3
|
B:CFQ1537
|
2.1
|
41.1
|
1.0
|
C6
|
B:CFQ1537
|
2.4
|
41.6
|
1.0
|
O1
|
B:CFQ1537
|
2.6
|
41.1
|
1.0
|
O3
|
B:CFQ1537
|
2.9
|
50.5
|
1.0
|
CA
|
B:GLY118
|
3.4
|
25.7
|
1.0
|
C7
|
B:CFQ1537
|
3.5
|
42.4
|
1.0
|
C1
|
B:CFQ1537
|
3.6
|
37.7
|
1.0
|
C
|
B:GLY118
|
3.7
|
26.3
|
1.0
|
N2
|
B:CFQ1537
|
3.7
|
47.3
|
1.0
|
O
|
B:HOH2157
|
3.8
|
19.9
|
1.0
|
OH
|
B:TYR121
|
3.9
|
26.3
|
1.0
|
C3
|
B:CFQ1537
|
3.9
|
39.1
|
1.0
|
C8
|
B:CFQ1537
|
3.9
|
44.8
|
1.0
|
CE2
|
B:TYR121
|
4.0
|
28.6
|
1.0
|
N
|
B:GLY119
|
4.1
|
25.8
|
1.0
|
C5
|
B:CFQ1537
|
4.1
|
40.1
|
1.0
|
O
|
B:GLY118
|
4.1
|
28.5
|
1.0
|
OG
|
B:SER122
|
4.1
|
24.4
|
1.0
|
CZ
|
B:TYR121
|
4.2
|
28.5
|
1.0
|
AS
|
B:CFQ1537
|
4.2
|
40.8
|
1.0
|
N
|
B:GLY118
|
4.6
|
25.1
|
1.0
|
C12
|
B:CFQ1537
|
4.7
|
40.4
|
1.0
|
O2
|
B:CFQ1537
|
4.7
|
50.2
|
1.0
|
C4
|
B:CFQ1537
|
4.8
|
38.8
|
1.0
|
CD2
|
B:TYR121
|
4.9
|
30.1
|
1.0
|
CA
|
B:GLY119
|
4.9
|
26.8
|
1.0
|
|
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: Wed Jul 31 16:04:36 2024
|