Arsenic in PDB 2v97: Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
Enzymatic activity of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
All present enzymatic activity of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature:
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 After A 9 Seconds Annealing to Room Temperature, PDB code: 2v97
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)
|
19.81 /
2.40
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
91.200,
104.460,
148.050,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.7 /
27.2
|
Other elements in 2v97:
The structure of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature also contains other interesting chemical elements:
Arsenic Binding Sites:
The binding sites of Arsenic atom in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
(pdb code 2v97). This binding sites where shown within
5.0 Angstroms radius around Arsenic atom.
In total 8 binding sites of Arsenic where determined in the
Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, PDB code: 2v97:
Jump to Arsenic binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Arsenic binding site 1 out
of 8 in 2v97
Go back to
Arsenic Binding Sites List in 2v97
Arsenic binding site 1 out
of 8 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 1 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:As1537
b:50.0
occ:0.80
|
AS
|
A:CFQ1537
|
0.0
|
50.0
|
0.8
|
AS
|
A:CFQ1537
|
0.6
|
56.0
|
0.2
|
C1
|
A:CFQ1537
|
2.0
|
56.7
|
0.2
|
C4
|
A:CFQ1537
|
2.0
|
57.6
|
0.2
|
C3
|
A:CFQ1537
|
2.2
|
54.6
|
0.8
|
C2
|
A:CFQ1537
|
2.2
|
51.8
|
0.8
|
C1
|
A:CFQ1537
|
2.2
|
53.6
|
0.8
|
C4
|
A:CFQ1537
|
2.3
|
54.3
|
0.8
|
C2
|
A:CFQ1537
|
2.4
|
56.1
|
0.2
|
O1
|
A:CFQ1537
|
2.6
|
60.8
|
0.2
|
C5
|
A:CFQ1537
|
2.7
|
59.1
|
0.2
|
C3
|
A:CFQ1537
|
2.8
|
56.6
|
0.2
|
O1
|
A:CFQ1537
|
3.0
|
56.9
|
0.8
|
C5
|
A:CFQ1537
|
3.2
|
55.4
|
0.8
|
C6
|
A:CFQ1537
|
4.0
|
61.8
|
0.2
|
CG
|
A:TRP279
|
4.2
|
32.4
|
0.8
|
F2
|
A:CFQ1537
|
4.3
|
61.9
|
0.2
|
C6
|
A:CFQ1537
|
4.3
|
58.6
|
0.8
|
CD1
|
A:TRP279
|
4.4
|
31.2
|
0.8
|
CD2
|
A:TRP279
|
4.4
|
32.5
|
0.8
|
C12
|
A:CFQ1537
|
4.4
|
63.6
|
0.2
|
CB
|
A:TRP279
|
4.5
|
34.2
|
0.8
|
C7
|
A:CFQ1537
|
4.6
|
63.0
|
0.2
|
CG
|
A:TRP279
|
4.6
|
35.6
|
0.2
|
F2
|
A:CFQ1537
|
4.6
|
58.5
|
0.8
|
CD2
|
A:TRP279
|
4.6
|
35.1
|
0.2
|
C12
|
A:CFQ1537
|
4.7
|
61.8
|
0.8
|
NE1
|
A:TRP279
|
4.7
|
32.1
|
0.8
|
C14
|
A:CFQ1537
|
4.7
|
61.5
|
0.2
|
CE2
|
A:TRP279
|
4.7
|
34.5
|
0.8
|
C14
|
A:CFQ1537
|
4.8
|
57.1
|
0.8
|
CB
|
A:TRP279
|
4.8
|
36.3
|
0.2
|
F3
|
A:CFQ1537
|
4.8
|
57.3
|
0.8
|
CD1
|
A:TRP279
|
4.9
|
35.3
|
0.2
|
CE3
|
A:TRP279
|
4.9
|
34.8
|
0.2
|
CE3
|
A:TRP279
|
4.9
|
33.0
|
0.8
|
O
|
A:HOH2511
|
5.0
|
57.8
|
0.8
|
O
|
A:HOH2512
|
5.0
|
57.3
|
0.2
|
C7
|
A:CFQ1537
|
5.0
|
61.1
|
0.8
|
O
|
A:HOH2527
|
5.0
|
63.2
|
0.8
|
|
Arsenic binding site 2 out
of 8 in 2v97
Go back to
Arsenic Binding Sites List in 2v97
Arsenic binding site 2 out
of 8 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 2 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:As1537
b:56.0
occ:0.20
|
AS
|
A:CFQ1537
|
0.0
|
56.0
|
0.2
|
AS
|
A:CFQ1537
|
0.6
|
50.0
|
0.8
|
C3
|
A:CFQ1537
|
1.8
|
54.6
|
0.8
|
C2
|
A:CFQ1537
|
2.1
|
51.8
|
0.8
|
C2
|
A:CFQ1537
|
2.2
|
56.1
|
0.2
|
C1
|
A:CFQ1537
|
2.2
|
56.7
|
0.2
|
C3
|
A:CFQ1537
|
2.2
|
56.6
|
0.2
|
C4
|
A:CFQ1537
|
2.2
|
57.6
|
0.2
|
C4
|
A:CFQ1537
|
2.6
|
54.3
|
0.8
|
C1
|
A:CFQ1537
|
2.6
|
53.6
|
0.8
|
O1
|
A:CFQ1537
|
3.2
|
60.8
|
0.2
|
C5
|
A:CFQ1537
|
3.2
|
59.1
|
0.2
|
O1
|
A:CFQ1537
|
3.5
|
56.9
|
0.8
|
C5
|
A:CFQ1537
|
3.6
|
55.4
|
0.8
|
CG
|
A:TRP279
|
3.9
|
32.4
|
0.8
|
CD1
|
A:TRP279
|
4.0
|
31.2
|
0.8
|
CB
|
A:TRP279
|
4.2
|
34.2
|
0.8
|
CG
|
A:TRP279
|
4.3
|
35.6
|
0.2
|
CD2
|
A:TRP279
|
4.3
|
32.5
|
0.8
|
NE1
|
A:TRP279
|
4.4
|
32.1
|
0.8
|
CD2
|
A:TRP279
|
4.4
|
35.1
|
0.2
|
CD1
|
A:TRP279
|
4.5
|
35.3
|
0.2
|
CE2
|
A:TRP279
|
4.5
|
34.5
|
0.8
|
CB
|
A:TRP279
|
4.6
|
36.3
|
0.2
|
C6
|
A:CFQ1537
|
4.6
|
61.8
|
0.2
|
CE2
|
A:TRP279
|
4.8
|
35.2
|
0.2
|
NE1
|
A:TRP279
|
4.8
|
35.0
|
0.2
|
C12
|
A:CFQ1537
|
4.8
|
63.6
|
0.2
|
C6
|
A:CFQ1537
|
4.8
|
58.6
|
0.8
|
F2
|
A:CFQ1537
|
4.9
|
61.9
|
0.2
|
CE3
|
A:TRP279
|
4.9
|
34.8
|
0.2
|
OH
|
A:TYR70
|
4.9
|
40.5
|
0.8
|
CE3
|
A:TRP279
|
5.0
|
33.0
|
0.8
|
C12
|
A:CFQ1537
|
5.0
|
61.8
|
0.8
|
C7
|
A:CFQ1537
|
5.0
|
63.0
|
0.2
|
|
Arsenic binding site 3 out
of 8 in 2v97
Go back to
Arsenic Binding Sites List in 2v97
Arsenic binding site 3 out
of 8 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 3 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:As1538
b:44.9
occ:0.80
|
AS
|
A:CFQ1538
|
0.0
|
44.9
|
0.8
|
AS
|
A:CFQ1538
|
0.4
|
48.4
|
0.2
|
C3
|
A:CFQ1538
|
2.1
|
48.2
|
0.2
|
C1
|
A:CFQ1538
|
2.1
|
48.6
|
0.2
|
C2
|
A:CFQ1538
|
2.2
|
48.4
|
0.2
|
C4
|
A:CFQ1538
|
2.2
|
45.5
|
0.8
|
C2
|
A:CFQ1538
|
2.2
|
47.0
|
0.8
|
C3
|
A:CFQ1538
|
2.2
|
45.2
|
0.8
|
C1
|
A:CFQ1538
|
2.2
|
45.7
|
0.8
|
C4
|
A:CFQ1538
|
2.7
|
48.8
|
0.2
|
C5
|
A:CFQ1538
|
3.1
|
48.5
|
0.8
|
O1
|
A:CFQ1538
|
3.1
|
49.2
|
0.8
|
C5
|
A:CFQ1538
|
3.5
|
50.4
|
0.2
|
O
|
A:GLY117
|
3.7
|
27.6
|
0.2
|
O1
|
A:CFQ1538
|
3.7
|
51.2
|
0.2
|
OE1
|
A:GLU199
|
3.9
|
26.4
|
0.2
|
OE1
|
A:GLU199
|
4.2
|
25.5
|
0.8
|
OE2
|
A:GLU199
|
4.2
|
23.4
|
0.8
|
O3
|
A:CFQ1538
|
4.3
|
56.9
|
0.2
|
C6
|
A:CFQ1538
|
4.3
|
48.5
|
0.8
|
CE3
|
A:TRP84
|
4.3
|
34.1
|
0.8
|
F2
|
A:CFQ1538
|
4.3
|
50.6
|
0.8
|
CD2
|
A:TRP84
|
4.4
|
34.0
|
0.8
|
CE3
|
A:TRP84
|
4.5
|
34.6
|
0.2
|
CD2
|
A:HIS440
|
4.5
|
31.7
|
0.8
|
CZ3
|
A:TRP84
|
4.5
|
34.7
|
0.8
|
CD2
|
A:TRP84
|
4.5
|
34.6
|
0.2
|
CD
|
A:GLU199
|
4.7
|
25.1
|
0.8
|
CE2
|
A:TRP84
|
4.7
|
34.2
|
0.8
|
C14
|
A:CFQ1538
|
4.7
|
49.2
|
0.8
|
F3
|
A:CFQ1538
|
4.7
|
49.3
|
0.8
|
CZ3
|
A:TRP84
|
4.8
|
35.0
|
0.2
|
C
|
A:GLY117
|
4.8
|
27.3
|
0.2
|
O3
|
A:CFQ1538
|
4.8
|
57.1
|
0.8
|
CH2
|
A:TRP84
|
4.8
|
34.3
|
0.8
|
F3
|
A:CFQ1538
|
4.8
|
50.9
|
0.2
|
CE2
|
A:TRP84
|
4.8
|
34.5
|
0.2
|
CD
|
A:GLU199
|
4.8
|
26.3
|
0.2
|
CA
|
A:GLY118
|
4.9
|
26.9
|
0.8
|
NE2
|
A:HIS440
|
4.9
|
33.6
|
0.8
|
CG
|
A:TRP84
|
4.9
|
34.5
|
0.8
|
CZ2
|
A:TRP84
|
4.9
|
34.2
|
0.8
|
N
|
A:GLY118
|
4.9
|
26.4
|
0.8
|
CA
|
A:GLY118
|
4.9
|
28.4
|
0.2
|
CG
|
A:TRP84
|
5.0
|
34.5
|
0.2
|
|
Arsenic binding site 4 out
of 8 in 2v97
Go back to
Arsenic Binding Sites List in 2v97
Arsenic binding site 4 out
of 8 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 4 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:As1538
b:48.4
occ:0.20
|
AS
|
A:CFQ1538
|
0.0
|
48.4
|
0.2
|
AS
|
A:CFQ1538
|
0.4
|
44.9
|
0.8
|
C4
|
A:CFQ1538
|
1.8
|
45.5
|
0.8
|
C4
|
A:CFQ1538
|
2.2
|
48.8
|
0.2
|
C2
|
A:CFQ1538
|
2.2
|
48.4
|
0.2
|
C3
|
A:CFQ1538
|
2.2
|
48.2
|
0.2
|
C1
|
A:CFQ1538
|
2.2
|
48.6
|
0.2
|
C1
|
A:CFQ1538
|
2.4
|
45.7
|
0.8
|
C2
|
A:CFQ1538
|
2.4
|
47.0
|
0.8
|
C3
|
A:CFQ1538
|
2.4
|
45.2
|
0.8
|
C5
|
A:CFQ1538
|
2.7
|
48.5
|
0.8
|
O1
|
A:CFQ1538
|
2.8
|
49.2
|
0.8
|
C5
|
A:CFQ1538
|
3.1
|
50.4
|
0.2
|
O1
|
A:CFQ1538
|
3.4
|
51.2
|
0.2
|
O
|
A:GLY117
|
4.1
|
27.6
|
0.2
|
C6
|
A:CFQ1538
|
4.1
|
48.5
|
0.8
|
OE1
|
A:GLU199
|
4.2
|
26.4
|
0.2
|
O3
|
A:CFQ1538
|
4.2
|
56.9
|
0.2
|
CD2
|
A:TRP84
|
4.3
|
34.0
|
0.8
|
F2
|
A:CFQ1538
|
4.3
|
50.6
|
0.8
|
CE3
|
A:TRP84
|
4.3
|
34.1
|
0.8
|
OE2
|
A:GLU199
|
4.4
|
23.4
|
0.8
|
CD2
|
A:HIS440
|
4.4
|
31.7
|
0.8
|
CD2
|
A:TRP84
|
4.4
|
34.6
|
0.2
|
CE2
|
A:TRP84
|
4.5
|
34.2
|
0.8
|
CE3
|
A:TRP84
|
4.5
|
34.6
|
0.2
|
OE1
|
A:GLU199
|
4.5
|
25.5
|
0.8
|
CZ3
|
A:TRP84
|
4.6
|
34.7
|
0.8
|
O3
|
A:CFQ1538
|
4.6
|
57.1
|
0.8
|
C14
|
A:CFQ1538
|
4.6
|
49.2
|
0.8
|
CE2
|
A:TRP84
|
4.6
|
34.5
|
0.2
|
F3
|
A:CFQ1538
|
4.7
|
49.3
|
0.8
|
CG
|
A:TRP84
|
4.7
|
34.5
|
0.8
|
CZ2
|
A:TRP84
|
4.7
|
34.2
|
0.8
|
CH2
|
A:TRP84
|
4.8
|
34.3
|
0.8
|
F3
|
A:CFQ1538
|
4.8
|
50.9
|
0.2
|
C6
|
A:CFQ1538
|
4.8
|
51.9
|
0.2
|
CG
|
A:TRP84
|
4.8
|
34.5
|
0.2
|
CZ3
|
A:TRP84
|
4.8
|
35.0
|
0.2
|
O
|
A:HIS440
|
4.8
|
32.0
|
0.2
|
O
|
A:HIS440
|
4.8
|
27.4
|
0.8
|
NE2
|
A:HIS440
|
4.9
|
33.6
|
0.8
|
CD2
|
A:HIS440
|
4.9
|
33.2
|
0.2
|
CD
|
A:GLU199
|
4.9
|
25.1
|
0.8
|
CZ2
|
A:TRP84
|
4.9
|
34.7
|
0.2
|
NE1
|
A:TRP84
|
5.0
|
35.1
|
0.8
|
|
Arsenic binding site 5 out
of 8 in 2v97
Go back to
Arsenic Binding Sites List in 2v97
Arsenic binding site 5 out
of 8 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 5 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:As1536
b:50.9
occ:0.80
|
AS
|
B:CFQ1536
|
0.0
|
50.9
|
0.8
|
AS
|
B:CFQ1536
|
0.7
|
55.8
|
0.2
|
C2
|
B:CFQ1536
|
1.6
|
54.4
|
0.2
|
C2
|
B:CFQ1536
|
2.2
|
50.2
|
0.8
|
C1
|
B:CFQ1536
|
2.2
|
52.3
|
0.8
|
C3
|
B:CFQ1536
|
2.2
|
53.8
|
0.8
|
C4
|
B:CFQ1536
|
2.2
|
53.3
|
0.8
|
C1
|
B:CFQ1536
|
2.4
|
55.0
|
0.2
|
C4
|
B:CFQ1536
|
2.5
|
56.1
|
0.2
|
C3
|
B:CFQ1536
|
2.7
|
55.4
|
0.2
|
O1
|
B:CFQ1536
|
2.9
|
57.8
|
0.2
|
O1
|
B:CFQ1536
|
3.0
|
54.3
|
0.8
|
C5
|
B:CFQ1536
|
3.2
|
53.5
|
0.8
|
C5
|
B:CFQ1536
|
3.3
|
57.2
|
0.2
|
F2
|
B:CFQ1536
|
4.1
|
58.9
|
0.2
|
C6
|
B:CFQ1536
|
4.2
|
59.1
|
0.2
|
CG
|
B:TRP279
|
4.2
|
36.4
|
0.8
|
CD2
|
B:TRP279
|
4.3
|
36.3
|
0.8
|
CG
|
B:TRP279
|
4.3
|
37.5
|
0.2
|
C6
|
B:CFQ1536
|
4.3
|
57.5
|
0.8
|
C12
|
B:CFQ1536
|
4.4
|
60.7
|
0.2
|
CD1
|
B:TRP279
|
4.5
|
35.6
|
0.8
|
CD2
|
B:TRP279
|
4.5
|
37.1
|
0.2
|
CB
|
B:TRP279
|
4.5
|
34.4
|
0.8
|
C12
|
B:CFQ1536
|
4.5
|
60.0
|
0.8
|
F2
|
B:CFQ1536
|
4.6
|
57.5
|
0.8
|
CD1
|
B:TRP279
|
4.6
|
37.2
|
0.2
|
CB
|
B:TRP279
|
4.6
|
37.4
|
0.2
|
C14
|
B:CFQ1536
|
4.6
|
58.9
|
0.2
|
CE2
|
B:TRP279
|
4.6
|
37.3
|
0.8
|
NE1
|
B:TRP279
|
4.7
|
36.7
|
0.8
|
C7
|
B:CFQ1536
|
4.8
|
60.2
|
0.2
|
CE3
|
B:TRP279
|
4.8
|
35.3
|
0.8
|
OH
|
B:TYR70
|
4.8
|
38.9
|
0.2
|
F3
|
B:CFQ1536
|
4.9
|
59.8
|
0.2
|
CE2
|
B:TRP279
|
4.9
|
37.3
|
0.2
|
C7
|
B:CFQ1536
|
4.9
|
59.0
|
0.8
|
C14
|
B:CFQ1536
|
4.9
|
57.2
|
0.8
|
NE1
|
B:TRP279
|
4.9
|
37.5
|
0.2
|
CE3
|
B:TRP279
|
5.0
|
36.9
|
0.2
|
|
Arsenic binding site 6 out
of 8 in 2v97
Go back to
Arsenic Binding Sites List in 2v97
Arsenic binding site 6 out
of 8 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 6 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:As1536
b:55.8
occ:0.20
|
AS
|
B:CFQ1536
|
0.0
|
55.8
|
0.2
|
AS
|
B:CFQ1536
|
0.7
|
50.9
|
0.8
|
C3
|
B:CFQ1536
|
2.0
|
53.8
|
0.8
|
C4
|
B:CFQ1536
|
2.1
|
53.3
|
0.8
|
C1
|
B:CFQ1536
|
2.2
|
55.0
|
0.2
|
C2
|
B:CFQ1536
|
2.2
|
54.4
|
0.2
|
C3
|
B:CFQ1536
|
2.2
|
55.4
|
0.2
|
C4
|
B:CFQ1536
|
2.2
|
56.1
|
0.2
|
C1
|
B:CFQ1536
|
2.3
|
52.3
|
0.8
|
C2
|
B:CFQ1536
|
2.9
|
50.2
|
0.8
|
O1
|
B:CFQ1536
|
3.1
|
57.8
|
0.2
|
C5
|
B:CFQ1536
|
3.2
|
57.2
|
0.2
|
C5
|
B:CFQ1536
|
3.2
|
53.5
|
0.8
|
O1
|
B:CFQ1536
|
3.2
|
54.3
|
0.8
|
CG
|
B:TRP279
|
4.2
|
36.4
|
0.8
|
CB
|
B:TRP279
|
4.3
|
34.4
|
0.8
|
CG
|
B:TRP279
|
4.4
|
37.5
|
0.2
|
CB
|
B:TRP279
|
4.4
|
37.4
|
0.2
|
C6
|
B:CFQ1536
|
4.4
|
59.1
|
0.2
|
F2
|
B:CFQ1536
|
4.5
|
58.9
|
0.2
|
CD2
|
B:TRP279
|
4.5
|
36.3
|
0.8
|
C6
|
B:CFQ1536
|
4.6
|
57.5
|
0.8
|
CD1
|
B:TRP279
|
4.6
|
35.6
|
0.8
|
CD2
|
B:TRP279
|
4.6
|
37.1
|
0.2
|
CD1
|
B:TRP279
|
4.7
|
37.2
|
0.2
|
C14
|
B:CFQ1536
|
4.9
|
58.9
|
0.2
|
CE3
|
B:TRP279
|
4.9
|
35.3
|
0.8
|
F2
|
B:CFQ1536
|
4.9
|
57.5
|
0.8
|
C12
|
B:CFQ1536
|
4.9
|
60.7
|
0.2
|
F3
|
B:CFQ1536
|
5.0
|
59.8
|
0.2
|
CE2
|
B:TRP279
|
5.0
|
37.3
|
0.8
|
|
Arsenic binding site 7 out
of 8 in 2v97
Go back to
Arsenic Binding Sites List in 2v97
Arsenic binding site 7 out
of 8 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 7 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:As1537
b:46.7
occ:0.80
|
AS
|
B:CFQ1537
|
0.0
|
46.7
|
0.8
|
AS
|
B:CFQ1537
|
0.3
|
47.9
|
0.2
|
C3
|
B:CFQ1537
|
2.1
|
48.2
|
0.2
|
C1
|
B:CFQ1537
|
2.2
|
48.5
|
0.2
|
C2
|
B:CFQ1537
|
2.2
|
48.1
|
0.2
|
C4
|
B:CFQ1537
|
2.2
|
46.7
|
0.8
|
C2
|
B:CFQ1537
|
2.2
|
48.8
|
0.8
|
C1
|
B:CFQ1537
|
2.2
|
49.1
|
0.8
|
C3
|
B:CFQ1537
|
2.2
|
47.6
|
0.8
|
C4
|
B:CFQ1537
|
2.5
|
48.5
|
0.2
|
O1
|
B:CFQ1537
|
3.0
|
47.1
|
0.8
|
C5
|
B:CFQ1537
|
3.1
|
48.8
|
0.8
|
C5
|
B:CFQ1537
|
3.4
|
49.6
|
0.2
|
O1
|
B:CFQ1537
|
3.4
|
49.5
|
0.2
|
OE1
|
B:GLU199
|
4.0
|
19.4
|
0.2
|
O
|
B:GLY117
|
4.0
|
28.7
|
0.2
|
C6
|
B:CFQ1537
|
4.2
|
46.8
|
0.8
|
OE1
|
B:GLU199
|
4.2
|
19.4
|
0.8
|
CE3
|
B:TRP84
|
4.4
|
29.4
|
0.8
|
CD2
|
B:TRP84
|
4.4
|
30.0
|
0.8
|
F2
|
B:CFQ1537
|
4.4
|
49.4
|
0.2
|
F1
|
B:CFQ1537
|
4.5
|
45.6
|
0.8
|
OE2
|
B:GLU199
|
4.6
|
21.7
|
0.8
|
C6
|
B:CFQ1537
|
4.6
|
49.7
|
0.2
|
CZ3
|
B:TRP84
|
4.7
|
29.5
|
0.8
|
CE2
|
B:TRP84
|
4.7
|
31.7
|
0.8
|
CD2
|
B:HIS440
|
4.7
|
30.0
|
0.8
|
CD2
|
B:TRP84
|
4.7
|
32.2
|
0.2
|
C14
|
B:CFQ1537
|
4.7
|
46.0
|
0.8
|
O3
|
B:CFQ1537
|
4.7
|
54.4
|
0.2
|
F2
|
B:CFQ1537
|
4.7
|
47.7
|
0.8
|
F1
|
B:CFQ1537
|
4.8
|
48.8
|
0.2
|
CE3
|
B:TRP84
|
4.8
|
32.2
|
0.2
|
CG
|
B:TRP84
|
4.8
|
29.6
|
0.8
|
C
|
B:GLY117
|
4.8
|
27.8
|
0.2
|
CE2
|
B:TRP84
|
4.8
|
32.4
|
0.2
|
CD
|
B:GLU199
|
4.8
|
20.6
|
0.8
|
CA
|
B:GLY118
|
4.8
|
25.4
|
0.8
|
N
|
B:GLY118
|
4.8
|
25.4
|
0.8
|
C14
|
B:CFQ1537
|
4.9
|
49.2
|
0.2
|
CD2
|
B:HIS440
|
4.9
|
30.1
|
0.2
|
O
|
B:HOH2992
|
4.9
|
28.8
|
0.8
|
CH2
|
B:TRP84
|
4.9
|
28.9
|
0.8
|
NE2
|
B:HIS440
|
4.9
|
30.5
|
0.8
|
CZ2
|
B:TRP84
|
4.9
|
29.1
|
0.8
|
O
|
B:HIS440
|
4.9
|
28.6
|
0.2
|
O
|
B:HOH2991
|
4.9
|
30.0
|
0.2
|
O
|
B:HOH2244
|
5.0
|
25.6
|
0.2
|
O3
|
B:CFQ1537
|
5.0
|
58.5
|
0.8
|
CZ3
|
B:TRP84
|
5.0
|
32.3
|
0.2
|
O
|
B:HOH2245
|
5.0
|
26.3
|
0.8
|
CA
|
B:GLY118
|
5.0
|
28.2
|
0.2
|
|
Arsenic binding site 8 out
of 8 in 2v97
Go back to
Arsenic Binding Sites List in 2v97
Arsenic binding site 8 out
of 8 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 8 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:As1537
b:47.9
occ:0.20
|
AS
|
B:CFQ1537
|
0.0
|
47.9
|
0.2
|
AS
|
B:CFQ1537
|
0.3
|
46.7
|
0.8
|
C4
|
B:CFQ1537
|
2.0
|
46.7
|
0.8
|
C4
|
B:CFQ1537
|
2.2
|
48.5
|
0.2
|
C2
|
B:CFQ1537
|
2.2
|
48.1
|
0.2
|
C1
|
B:CFQ1537
|
2.2
|
48.5
|
0.2
|
C3
|
B:CFQ1537
|
2.2
|
48.2
|
0.2
|
C3
|
B:CFQ1537
|
2.3
|
47.6
|
0.8
|
C2
|
B:CFQ1537
|
2.3
|
48.8
|
0.8
|
C1
|
B:CFQ1537
|
2.3
|
49.1
|
0.8
|
C5
|
B:CFQ1537
|
2.9
|
48.8
|
0.8
|
O1
|
B:CFQ1537
|
2.9
|
47.1
|
0.8
|
C5
|
B:CFQ1537
|
3.2
|
49.6
|
0.2
|
O1
|
B:CFQ1537
|
3.3
|
49.5
|
0.2
|
OE1
|
B:GLU199
|
4.0
|
19.4
|
0.2
|
C6
|
B:CFQ1537
|
4.1
|
46.8
|
0.8
|
O
|
B:GLY117
|
4.2
|
28.7
|
0.2
|
OE1
|
B:GLU199
|
4.3
|
19.4
|
0.8
|
CD2
|
B:TRP84
|
4.4
|
30.0
|
0.8
|
F2
|
B:CFQ1537
|
4.4
|
49.4
|
0.2
|
CE3
|
B:TRP84
|
4.4
|
29.4
|
0.8
|
F1
|
B:CFQ1537
|
4.5
|
45.6
|
0.8
|
C6
|
B:CFQ1537
|
4.5
|
49.7
|
0.2
|
CD2
|
B:HIS440
|
4.5
|
30.0
|
0.8
|
CE2
|
B:TRP84
|
4.6
|
31.7
|
0.8
|
OE2
|
B:GLU199
|
4.6
|
21.7
|
0.8
|
C14
|
B:CFQ1537
|
4.6
|
46.0
|
0.8
|
O3
|
B:CFQ1537
|
4.7
|
54.4
|
0.2
|
CD2
|
B:TRP84
|
4.7
|
32.2
|
0.2
|
F2
|
B:CFQ1537
|
4.7
|
47.7
|
0.8
|
CZ3
|
B:TRP84
|
4.7
|
29.5
|
0.8
|
F1
|
B:CFQ1537
|
4.7
|
48.8
|
0.2
|
O
|
B:HIS440
|
4.7
|
28.6
|
0.2
|
CE2
|
B:TRP84
|
4.7
|
32.4
|
0.2
|
CD2
|
B:HIS440
|
4.8
|
30.1
|
0.2
|
CG
|
B:TRP84
|
4.8
|
29.6
|
0.8
|
C14
|
B:CFQ1537
|
4.8
|
49.2
|
0.2
|
CE3
|
B:TRP84
|
4.8
|
32.2
|
0.2
|
NE2
|
B:HIS440
|
4.8
|
30.5
|
0.8
|
CZ2
|
B:TRP84
|
4.9
|
29.1
|
0.8
|
O3
|
B:CFQ1537
|
4.9
|
58.5
|
0.8
|
CD
|
B:GLU199
|
4.9
|
20.6
|
0.8
|
CH2
|
B:TRP84
|
4.9
|
28.9
|
0.8
|
O
|
B:HIS440
|
5.0
|
25.9
|
0.8
|
CZ2
|
B:TRP84
|
5.0
|
31.9
|
0.2
|
O
|
B:HOH2992
|
5.0
|
28.8
|
0.8
|
CA
|
B:GLY441
|
5.0
|
23.0
|
0.8
|
CA
|
B:GLY118
|
5.0
|
25.4
|
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: Wed Jul 10 11:29:48 2024
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