Thallium in PDB 1fpl: Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm)
Enzymatic activity of Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm)
All present enzymatic activity of Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm):
3.1.3.11;
Protein crystallography data
The structure of Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm), PDB code: 1fpl
was solved by
V.Villeret,
W.N.Lipscomb,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
8.00 /
2.30
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
61.100,
166.900,
80.200,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.4 /
n/a
|
Thallium Binding Sites:
The binding sites of Thallium atom in the Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm)
(pdb code 1fpl). This binding sites where shown within
5.0 Angstroms radius around Thallium atom.
In total 6 binding sites of Thallium where determined in the
Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm), PDB code: 1fpl:
Jump to Thallium binding site number:
1;
2;
3;
4;
5;
6;
Thallium binding site 1 out
of 6 in 1fpl
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Thallium Binding Sites List in 1fpl
Thallium binding site 1 out
of 6 in the Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 1 of Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl336
b:45.7
occ:0.43
|
OD1
|
A:ASP121
|
2.5
|
22.7
|
1.0
|
OD2
|
A:ASP118
|
2.6
|
31.7
|
1.0
|
OE1
|
A:GLU97
|
2.6
|
46.3
|
1.0
|
OE2
|
A:GLU280
|
2.6
|
34.5
|
1.0
|
O3P
|
A:AHG340
|
2.9
|
47.6
|
1.0
|
OE2
|
A:GLU97
|
3.2
|
49.6
|
1.0
|
CD
|
A:GLU97
|
3.2
|
44.1
|
1.0
|
TL
|
A:TL338
|
3.4
|
39.2
|
0.6
|
CG
|
A:ASP118
|
3.5
|
27.8
|
1.0
|
CG
|
A:ASP121
|
3.6
|
26.5
|
1.0
|
O2P
|
A:AHG340
|
3.6
|
47.1
|
1.0
|
P1
|
A:AHG340
|
3.7
|
48.2
|
1.0
|
OD1
|
A:ASP118
|
3.8
|
27.8
|
1.0
|
CD
|
A:GLU280
|
3.8
|
31.3
|
1.0
|
TL
|
A:TL337
|
3.9
|
43.7
|
0.7
|
O1
|
A:AHG340
|
4.1
|
41.6
|
1.0
|
CA
|
A:ASP121
|
4.1
|
26.4
|
1.0
|
CB
|
A:ASP121
|
4.1
|
24.8
|
1.0
|
C1
|
A:AHG340
|
4.1
|
31.6
|
1.0
|
OE1
|
A:GLU280
|
4.5
|
33.9
|
1.0
|
N
|
A:GLY122
|
4.6
|
24.8
|
1.0
|
OD2
|
A:ASP121
|
4.7
|
21.4
|
1.0
|
CG
|
A:GLU97
|
4.7
|
40.0
|
1.0
|
CG
|
A:GLU280
|
4.8
|
27.5
|
1.0
|
C2
|
A:AHG340
|
4.8
|
28.1
|
1.0
|
CB
|
A:ASP118
|
4.9
|
24.5
|
1.0
|
C
|
A:ASP121
|
4.9
|
24.6
|
1.0
|
|
Thallium binding site 2 out
of 6 in 1fpl
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Thallium Binding Sites List in 1fpl
Thallium binding site 2 out
of 6 in the Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 2 of Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl337
b:43.7
occ:0.65
|
OE2
|
A:GLU97
|
2.8
|
49.6
|
1.0
|
OE2
|
A:GLU98
|
2.9
|
43.4
|
1.0
|
O
|
A:LEU120
|
2.9
|
22.1
|
1.0
|
OD1
|
A:ASP118
|
3.0
|
27.8
|
1.0
|
OG
|
A:SER123
|
3.4
|
49.2
|
1.0
|
CD
|
A:GLU97
|
3.5
|
44.1
|
1.0
|
TL
|
A:TL336
|
3.9
|
45.7
|
0.4
|
C
|
A:LEU120
|
3.9
|
23.5
|
1.0
|
OE1
|
A:GLU97
|
4.0
|
46.3
|
1.0
|
CG
|
A:ASP118
|
4.0
|
27.8
|
1.0
|
CD
|
A:GLU98
|
4.1
|
37.7
|
1.0
|
O3P
|
A:AHG340
|
4.2
|
47.6
|
1.0
|
OD2
|
A:ASP118
|
4.3
|
31.7
|
1.0
|
CG
|
A:GLU97
|
4.4
|
40.0
|
1.0
|
CA
|
A:ASP121
|
4.5
|
26.4
|
1.0
|
N
|
A:ASP121
|
4.6
|
24.7
|
1.0
|
CB
|
A:SER123
|
4.6
|
44.1
|
1.0
|
N
|
A:LEU120
|
4.6
|
22.7
|
1.0
|
CB
|
A:GLU97
|
4.7
|
32.2
|
1.0
|
CA
|
A:LEU120
|
4.8
|
24.6
|
1.0
|
OE1
|
A:GLU98
|
4.9
|
37.9
|
1.0
|
CG
|
A:GLU98
|
5.0
|
35.7
|
1.0
|
|
Thallium binding site 3 out
of 6 in 1fpl
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Thallium Binding Sites List in 1fpl
Thallium binding site 3 out
of 6 in the Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 3 of Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl338
b:39.2
occ:0.55
|
OE1
|
A:GLU280
|
3.2
|
33.9
|
1.0
|
OE2
|
A:GLU280
|
3.3
|
34.5
|
1.0
|
NH1
|
A:ARG276
|
3.3
|
58.1
|
1.0
|
TL
|
A:TL336
|
3.4
|
45.7
|
0.4
|
CD
|
A:GLU280
|
3.6
|
31.3
|
1.0
|
OE1
|
A:GLU97
|
3.8
|
46.3
|
1.0
|
O2P
|
A:AHG340
|
3.9
|
47.1
|
1.0
|
O
|
A:LYS274
|
4.0
|
23.3
|
1.0
|
CD
|
A:ARG276
|
4.1
|
38.9
|
1.0
|
O1
|
A:AHG340
|
4.4
|
41.6
|
1.0
|
CD
|
A:GLU97
|
4.4
|
44.1
|
1.0
|
CZ
|
A:ARG276
|
4.4
|
54.2
|
1.0
|
OE2
|
A:GLU97
|
4.5
|
49.6
|
1.0
|
CD2
|
A:LEU275
|
4.5
|
16.6
|
1.0
|
CA
|
A:LEU275
|
4.6
|
20.4
|
1.0
|
N
|
A:ARG276
|
4.6
|
23.7
|
1.0
|
NE
|
A:ARG276
|
4.7
|
47.5
|
1.0
|
P1
|
A:AHG340
|
4.7
|
48.2
|
1.0
|
NH1
|
A:ARG313
|
4.7
|
48.6
|
1.0
|
C2
|
A:AHG340
|
4.7
|
28.1
|
1.0
|
CG
|
A:LYS274
|
4.8
|
22.5
|
1.0
|
C
|
A:LYS274
|
4.8
|
23.3
|
1.0
|
C1
|
A:AHG340
|
4.9
|
31.6
|
1.0
|
OD1
|
A:ASP121
|
4.9
|
22.7
|
1.0
|
CE
|
A:LYS274
|
5.0
|
20.6
|
1.0
|
|
Thallium binding site 4 out
of 6 in 1fpl
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Thallium Binding Sites List in 1fpl
Thallium binding site 4 out
of 6 in the Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 4 of Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl336
b:42.6
occ:0.42
|
OE2
|
B:GLU280
|
2.5
|
28.5
|
1.0
|
OD2
|
B:ASP118
|
2.5
|
26.1
|
1.0
|
OD1
|
B:ASP121
|
2.6
|
20.6
|
1.0
|
OE1
|
B:GLU97
|
2.6
|
41.3
|
1.0
|
OE2
|
B:GLU97
|
3.0
|
45.5
|
1.0
|
O1P
|
B:AHG340
|
3.1
|
36.8
|
1.0
|
CD
|
B:GLU97
|
3.2
|
37.9
|
1.0
|
CG
|
B:ASP118
|
3.4
|
21.5
|
1.0
|
TL
|
B:TL338
|
3.4
|
40.8
|
0.5
|
CG
|
B:ASP121
|
3.6
|
26.1
|
1.0
|
OD1
|
B:ASP118
|
3.6
|
24.8
|
1.0
|
CD
|
B:GLU280
|
3.7
|
26.4
|
1.0
|
TL
|
B:TL337
|
3.9
|
44.7
|
0.6
|
P1
|
B:AHG340
|
3.9
|
43.4
|
1.0
|
O3P
|
B:AHG340
|
3.9
|
41.7
|
1.0
|
CB
|
B:ASP121
|
4.1
|
22.2
|
1.0
|
O1
|
B:AHG340
|
4.1
|
32.5
|
1.0
|
CA
|
B:ASP121
|
4.1
|
20.9
|
1.0
|
C1
|
B:AHG340
|
4.3
|
25.3
|
1.0
|
OE1
|
B:GLU280
|
4.4
|
30.8
|
1.0
|
N
|
B:GLY122
|
4.6
|
24.2
|
1.0
|
CG
|
B:GLU280
|
4.6
|
24.3
|
1.0
|
CG
|
B:GLU97
|
4.6
|
35.1
|
1.0
|
OD2
|
B:ASP121
|
4.7
|
23.3
|
1.0
|
CB
|
B:ASP118
|
4.8
|
15.8
|
1.0
|
C2
|
B:AHG340
|
4.9
|
21.5
|
1.0
|
C
|
B:ASP121
|
4.9
|
22.0
|
1.0
|
|
Thallium binding site 5 out
of 6 in 1fpl
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Thallium Binding Sites List in 1fpl
Thallium binding site 5 out
of 6 in the Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 5 of Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl337
b:44.7
occ:0.64
|
O
|
B:LEU120
|
2.8
|
20.2
|
1.0
|
OD1
|
B:ASP118
|
3.0
|
24.8
|
1.0
|
OE2
|
B:GLU98
|
3.1
|
54.8
|
1.0
|
OE2
|
B:GLU97
|
3.2
|
45.5
|
1.0
|
CD
|
B:GLU97
|
3.7
|
37.9
|
1.0
|
C
|
B:LEU120
|
3.8
|
21.0
|
1.0
|
TL
|
B:TL336
|
3.9
|
42.6
|
0.4
|
CG
|
B:ASP118
|
4.0
|
21.5
|
1.0
|
OE1
|
B:GLU97
|
4.1
|
41.3
|
1.0
|
O1P
|
B:AHG340
|
4.1
|
36.8
|
1.0
|
OG
|
B:SER123
|
4.2
|
42.6
|
1.0
|
OD2
|
B:ASP118
|
4.3
|
26.1
|
1.0
|
CD
|
B:GLU98
|
4.3
|
50.0
|
1.0
|
CG
|
B:GLU97
|
4.4
|
35.1
|
1.0
|
CA
|
B:ASP121
|
4.4
|
20.9
|
1.0
|
N
|
B:ASP121
|
4.5
|
20.0
|
1.0
|
N
|
B:LEU120
|
4.5
|
21.9
|
1.0
|
CB
|
B:GLU97
|
4.6
|
30.2
|
1.0
|
CA
|
B:LEU120
|
4.7
|
20.8
|
1.0
|
CB
|
B:SER123
|
4.8
|
41.6
|
1.0
|
CG
|
B:PRO119
|
5.0
|
17.8
|
1.0
|
|
Thallium binding site 6 out
of 6 in 1fpl
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Thallium Binding Sites List in 1fpl
Thallium binding site 6 out
of 6 in the Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 6 of Fructose-1,6-Bisphosphatase (D-Fructose-1,6-Bisphosphate 1- Phosphohydrolase) Complexed with Amp, 2,5-Anhydro-D-Glucitol-1,6- Bisphosphate and Thallium Ions (10 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl338
b:40.8
occ:0.53
|
NH1
|
B:ARG276
|
3.0
|
46.2
|
1.0
|
OE2
|
B:GLU280
|
3.1
|
28.5
|
1.0
|
OE1
|
B:GLU280
|
3.2
|
30.8
|
1.0
|
TL
|
B:TL336
|
3.4
|
42.6
|
0.4
|
CD
|
B:GLU280
|
3.6
|
26.4
|
1.0
|
O3P
|
B:AHG340
|
3.9
|
41.7
|
1.0
|
OE1
|
B:GLU97
|
4.0
|
41.3
|
1.0
|
OE2
|
B:GLU97
|
4.1
|
45.5
|
1.0
|
O
|
B:LYS274
|
4.1
|
24.1
|
1.0
|
CD
|
B:ARG276
|
4.1
|
30.5
|
1.0
|
CZ
|
B:ARG276
|
4.2
|
44.8
|
1.0
|
O1
|
B:AHG340
|
4.2
|
32.5
|
1.0
|
CD
|
B:GLU97
|
4.3
|
37.9
|
1.0
|
CD2
|
B:LEU275
|
4.4
|
15.0
|
1.0
|
CA
|
B:LEU275
|
4.5
|
21.9
|
1.0
|
P1
|
B:AHG340
|
4.6
|
43.4
|
1.0
|
NE
|
B:ARG276
|
4.6
|
39.5
|
1.0
|
C2
|
B:AHG340
|
4.6
|
21.5
|
1.0
|
CG
|
B:LYS274
|
4.7
|
29.7
|
1.0
|
CE
|
B:LYS274
|
4.7
|
28.4
|
1.0
|
N
|
B:ARG276
|
4.7
|
25.7
|
1.0
|
C
|
B:LYS274
|
4.8
|
25.8
|
1.0
|
C1
|
B:AHG340
|
4.8
|
25.3
|
1.0
|
N
|
B:LEU275
|
5.0
|
21.6
|
1.0
|
O1P
|
B:AHG340
|
5.0
|
36.8
|
1.0
|
CD
|
B:LYS274
|
5.0
|
28.6
|
1.0
|
OD1
|
B:ASP121
|
5.0
|
20.6
|
1.0
|
|
Reference:
V.Villeret,
S.Huang,
H.J.Fromm,
W.N.Lipscomb.
Crystallographic Evidence For the Action of Potassium, Thallium, and Lithium Ions on Fructose-1,6-Bisphosphatase. Proc.Natl.Acad.Sci.Usa V. 92 8916 1995.
ISSN: ISSN 0027-8424
PubMed: 7568043
DOI: 10.1073/PNAS.92.19.8916
Page generated: Fri Oct 11 09:15:57 2024
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