Thallium in PDB 1nv7: Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm)
Enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm)
All present enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm):
3.1.3.11;
Protein crystallography data
The structure of Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm), PDB code: 1nv7
was solved by
J.Choe,
C.V.Iancu,
H.J.Fromm,
R.B.Honzatko,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
5.00 /
2.15
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
59.950,
166.150,
79.290,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.9 /
25.1
|
Other elements in 1nv7:
The structure of Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) also contains other interesting chemical elements:
Thallium Binding Sites:
The binding sites of Thallium atom in the Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm)
(pdb code 1nv7). This binding sites where shown within
5.0 Angstroms radius around Thallium atom.
In total 8 binding sites of Thallium where determined in the
Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm), PDB code: 1nv7:
Jump to Thallium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Thallium binding site 1 out
of 8 in 1nv7
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Thallium Binding Sites List in 1nv7
Thallium binding site 1 out
of 8 in the Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 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 Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl3351
b:0.2
occ:1.00
|
O1
|
A:F6P3336
|
2.9
|
19.2
|
1.0
|
C1
|
A:F6P3336
|
2.9
|
17.8
|
1.0
|
OE1
|
A:GLU1280
|
2.9
|
31.2
|
1.0
|
OE2
|
A:GLU1280
|
2.9
|
34.1
|
1.0
|
TL
|
A:TL3352
|
3.0
|
0.3
|
1.0
|
CD
|
A:GLU1280
|
3.3
|
31.9
|
1.0
|
O
|
A:LYS1274
|
3.7
|
15.3
|
1.0
|
O4
|
A:PO43434
|
3.7
|
35.1
|
1.0
|
CD2
|
A:LEU1275
|
3.9
|
12.1
|
1.0
|
CA
|
A:LEU1275
|
4.0
|
19.3
|
1.0
|
MG
|
A:MG3341
|
4.1
|
29.9
|
1.0
|
CG
|
A:ARG1276
|
4.1
|
18.3
|
1.0
|
CG
|
A:LYS1274
|
4.3
|
19.1
|
1.0
|
C
|
A:LYS1274
|
4.3
|
15.5
|
1.0
|
C2
|
A:F6P3336
|
4.3
|
17.6
|
1.0
|
CE
|
A:LYS1274
|
4.3
|
14.4
|
1.0
|
N
|
A:ARG1276
|
4.3
|
17.6
|
1.0
|
N
|
A:LEU1275
|
4.5
|
19.2
|
1.0
|
O5
|
A:F6P3336
|
4.6
|
17.4
|
1.0
|
CD
|
A:LYS1274
|
4.6
|
15.5
|
1.0
|
O
|
A:HOH5296
|
4.6
|
43.2
|
1.0
|
C
|
A:LEU1275
|
4.6
|
23.1
|
1.0
|
NH1
|
A:ARG1313
|
4.6
|
19.9
|
1.0
|
NE
|
A:ARG1276
|
4.8
|
37.6
|
1.0
|
CB
|
A:LEU1275
|
4.8
|
13.3
|
1.0
|
CG
|
A:GLU1280
|
4.8
|
22.8
|
1.0
|
OD2
|
A:ASP1121
|
4.9
|
10.6
|
1.0
|
CG
|
A:LEU1275
|
5.0
|
13.3
|
1.0
|
|
Thallium binding site 2 out
of 8 in 1nv7
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Thallium Binding Sites List in 1nv7
Thallium binding site 2 out
of 8 in the Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 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 Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl3352
b:0.3
occ:1.00
|
OE2
|
A:GLU1097
|
2.7
|
49.6
|
1.0
|
O4
|
A:PO43434
|
2.9
|
35.1
|
1.0
|
CD
|
A:GLU1097
|
2.9
|
36.5
|
1.0
|
TL
|
A:TL3351
|
3.0
|
0.2
|
1.0
|
OE1
|
A:GLU1097
|
3.2
|
39.6
|
1.0
|
CG
|
A:GLU1097
|
3.7
|
22.5
|
1.0
|
NE
|
A:ARG1276
|
3.7
|
37.6
|
1.0
|
MG
|
A:MG3341
|
3.7
|
29.9
|
1.0
|
CG
|
A:ARG1276
|
3.9
|
18.3
|
1.0
|
OE2
|
A:GLU1280
|
4.0
|
34.1
|
1.0
|
O1
|
A:F6P3336
|
4.0
|
19.2
|
1.0
|
P
|
A:PO43434
|
4.2
|
35.4
|
1.0
|
O
|
A:HOH5296
|
4.3
|
43.2
|
1.0
|
CD
|
A:ARG1276
|
4.4
|
22.3
|
1.0
|
NH2
|
A:ARG1276
|
4.4
|
26.4
|
1.0
|
CZ
|
A:ARG1276
|
4.6
|
36.9
|
1.0
|
O2
|
A:PO43434
|
4.6
|
35.4
|
1.0
|
CD
|
A:GLU1280
|
4.6
|
31.9
|
1.0
|
OE1
|
A:GLU1280
|
4.6
|
31.2
|
1.0
|
O1
|
A:PO43434
|
4.7
|
35.4
|
1.0
|
C1
|
A:F6P3336
|
4.7
|
17.8
|
1.0
|
CE1
|
A:TYR1279
|
5.0
|
14.8
|
1.0
|
|
Thallium binding site 3 out
of 8 in 1nv7
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Thallium Binding Sites List in 1nv7
Thallium binding site 3 out
of 8 in the Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 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 Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl3353
b:0.2
occ:1.00
|
OE2
|
A:GLU1098
|
2.7
|
40.6
|
1.0
|
OE2
|
A:GLU1097
|
2.7
|
49.6
|
1.0
|
TL
|
A:TL3354
|
3.2
|
0.1
|
1.0
|
O1
|
A:PO43434
|
3.2
|
35.4
|
1.0
|
OE1
|
A:GLU1098
|
3.4
|
39.4
|
1.0
|
CD
|
A:GLU1098
|
3.4
|
35.8
|
1.0
|
CD
|
A:GLU1097
|
3.6
|
36.5
|
1.0
|
CG
|
A:GLU1097
|
4.0
|
22.5
|
1.0
|
P
|
A:PO43434
|
4.3
|
35.4
|
1.0
|
OE1
|
A:GLU1097
|
4.5
|
39.6
|
1.0
|
O2
|
A:PO43434
|
4.5
|
35.4
|
1.0
|
O
|
A:HOH5343
|
4.6
|
29.3
|
1.0
|
O4
|
A:PO43434
|
4.7
|
35.1
|
1.0
|
CB
|
A:GLU1097
|
4.8
|
17.5
|
1.0
|
CG
|
A:GLU1098
|
4.9
|
29.9
|
1.0
|
O
|
A:GLU1097
|
5.0
|
21.2
|
1.0
|
|
Thallium binding site 4 out
of 8 in 1nv7
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Thallium Binding Sites List in 1nv7
Thallium binding site 4 out
of 8 in the Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 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 Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl3354
b:0.1
occ:1.00
|
O2
|
A:PO43434
|
2.5
|
35.4
|
1.0
|
OD1
|
A:ASP1118
|
2.6
|
20.4
|
1.0
|
O
|
A:LEU1120
|
2.8
|
23.3
|
1.0
|
O1
|
A:PO43434
|
3.0
|
35.4
|
1.0
|
OE2
|
A:GLU1098
|
3.1
|
40.6
|
1.0
|
TL
|
A:TL3353
|
3.2
|
0.2
|
1.0
|
OE1
|
A:GLU1097
|
3.2
|
39.6
|
1.0
|
CD
|
A:GLU1097
|
3.2
|
36.5
|
1.0
|
OE2
|
A:GLU1097
|
3.2
|
49.6
|
1.0
|
P
|
A:PO43434
|
3.3
|
35.4
|
1.0
|
O
|
A:HOH5343
|
3.5
|
29.3
|
1.0
|
CG
|
A:ASP1118
|
3.8
|
19.2
|
1.0
|
C
|
A:LEU1120
|
3.8
|
20.2
|
1.0
|
MG
|
A:MG3341
|
4.1
|
29.9
|
1.0
|
CG
|
A:GLU1097
|
4.2
|
22.5
|
1.0
|
O4
|
A:PO43434
|
4.2
|
35.1
|
1.0
|
N
|
A:LEU1120
|
4.3
|
11.8
|
1.0
|
OD2
|
A:ASP1118
|
4.3
|
25.4
|
1.0
|
CB
|
A:GLU1097
|
4.3
|
17.5
|
1.0
|
CD
|
A:GLU1098
|
4.3
|
35.8
|
1.0
|
O3
|
A:PO43434
|
4.4
|
35.2
|
1.0
|
CD
|
A:PRO1119
|
4.5
|
10.7
|
1.0
|
CA
|
A:LEU1120
|
4.6
|
20.4
|
1.0
|
CA
|
A:ASP1121
|
4.6
|
18.9
|
1.0
|
N
|
A:ASP1121
|
4.6
|
20.2
|
1.0
|
CG
|
A:PRO1119
|
4.7
|
6.8
|
1.0
|
N
|
A:PRO1119
|
4.9
|
11.6
|
1.0
|
CB
|
A:ASP1118
|
5.0
|
17.8
|
1.0
|
|
Thallium binding site 5 out
of 8 in 1nv7
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Thallium Binding Sites List in 1nv7
Thallium binding site 5 out
of 8 in the Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 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 Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl4351
b:0.1
occ:1.00
|
TL
|
B:TL4352
|
2.7
|
95.1
|
1.0
|
O1
|
B:F6P4336
|
2.7
|
19.1
|
1.0
|
C1
|
B:F6P4336
|
2.7
|
17.7
|
1.0
|
OE2
|
B:GLU2280
|
3.0
|
16.0
|
1.0
|
OE1
|
B:GLU2280
|
3.2
|
23.4
|
1.0
|
O3
|
B:PO44434
|
3.3
|
33.3
|
1.0
|
CD
|
B:GLU2280
|
3.5
|
26.0
|
1.0
|
MG
|
B:MG4341
|
3.9
|
24.7
|
1.0
|
CD2
|
B:LEU2275
|
4.1
|
8.8
|
1.0
|
CE
|
B:LYS2274
|
4.1
|
15.3
|
1.0
|
C2
|
B:F6P4336
|
4.2
|
17.5
|
1.0
|
O
|
B:LYS2274
|
4.2
|
21.9
|
1.0
|
CA
|
B:LEU2275
|
4.3
|
17.6
|
1.0
|
CG
|
B:LYS2274
|
4.4
|
19.7
|
1.0
|
CG
|
B:ARG2276
|
4.4
|
24.1
|
1.0
|
OD2
|
B:ASP2121
|
4.6
|
9.8
|
1.0
|
N
|
B:ARG2276
|
4.6
|
16.4
|
1.0
|
CD
|
B:LYS2274
|
4.6
|
19.1
|
1.0
|
O5
|
B:F6P4336
|
4.7
|
17.4
|
1.0
|
OE1
|
B:GLU2097
|
4.7
|
32.2
|
1.0
|
P
|
B:PO44434
|
4.7
|
33.7
|
1.0
|
C
|
B:LYS2274
|
4.8
|
21.0
|
1.0
|
NZ
|
B:LYS2274
|
4.9
|
17.6
|
1.0
|
N
|
B:LEU2275
|
4.9
|
23.5
|
1.0
|
C
|
B:LEU2275
|
4.9
|
19.4
|
1.0
|
NE
|
B:ARG2276
|
4.9
|
29.2
|
1.0
|
C3
|
B:F6P4336
|
4.9
|
17.2
|
1.0
|
CG
|
B:GLU2280
|
5.0
|
16.0
|
1.0
|
|
Thallium binding site 6 out
of 8 in 1nv7
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Thallium Binding Sites List in 1nv7
Thallium binding site 6 out
of 8 in the Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 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 Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl4352
b:95.1
occ:1.00
|
TL
|
B:TL4351
|
2.7
|
0.1
|
1.0
|
O3
|
B:PO44434
|
2.9
|
33.3
|
1.0
|
OE1
|
B:GLU2097
|
3.0
|
32.2
|
1.0
|
CD
|
B:GLU2097
|
3.1
|
35.2
|
1.0
|
OE2
|
B:GLU2097
|
3.4
|
50.5
|
1.0
|
MG
|
B:MG4341
|
3.5
|
24.7
|
1.0
|
OE1
|
B:GLU2280
|
3.6
|
23.4
|
1.0
|
NE
|
B:ARG2276
|
3.7
|
29.2
|
1.0
|
CG
|
B:ARG2276
|
3.8
|
24.1
|
1.0
|
CG
|
B:GLU2097
|
3.9
|
25.3
|
1.0
|
P
|
B:PO44434
|
4.2
|
33.7
|
1.0
|
OE2
|
B:GLU2280
|
4.3
|
16.0
|
1.0
|
CD
|
B:GLU2280
|
4.3
|
26.0
|
1.0
|
CD
|
B:ARG2276
|
4.3
|
20.3
|
1.0
|
O1
|
B:F6P4336
|
4.4
|
19.1
|
1.0
|
NH2
|
B:ARG2276
|
4.4
|
40.0
|
1.0
|
O1
|
B:PO44434
|
4.5
|
33.8
|
1.0
|
CZ
|
B:ARG2276
|
4.6
|
37.3
|
1.0
|
O4
|
B:PO44434
|
4.6
|
33.8
|
1.0
|
C1
|
B:F6P4336
|
4.7
|
17.7
|
1.0
|
CE1
|
B:TYR2279
|
5.0
|
12.0
|
1.0
|
|
Thallium binding site 7 out
of 8 in 1nv7
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Thallium Binding Sites List in 1nv7
Thallium binding site 7 out
of 8 in the Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 7 of Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl4353
b:0.6
occ:1.00
|
OE1
|
B:GLU2098
|
2.4
|
37.2
|
1.0
|
OE2
|
B:GLU2097
|
2.4
|
50.5
|
1.0
|
OE2
|
B:GLU2098
|
3.0
|
31.8
|
1.0
|
CD
|
B:GLU2098
|
3.1
|
24.0
|
1.0
|
TL
|
B:TL4354
|
3.3
|
0.9
|
1.0
|
O1
|
B:PO44434
|
3.3
|
33.8
|
1.0
|
CD
|
B:GLU2097
|
3.5
|
35.2
|
1.0
|
CG
|
B:GLU2097
|
3.9
|
25.3
|
1.0
|
CG
|
B:GLU2098
|
4.5
|
20.2
|
1.0
|
OE1
|
B:GLU2097
|
4.6
|
32.2
|
1.0
|
P
|
B:PO44434
|
4.6
|
33.7
|
1.0
|
CB
|
B:GLU2097
|
4.8
|
18.5
|
1.0
|
O4
|
B:PO44434
|
4.8
|
33.8
|
1.0
|
O
|
B:HOH5310
|
4.8
|
33.7
|
1.0
|
O
|
B:GLU2097
|
4.8
|
16.9
|
1.0
|
|
Thallium binding site 8 out
of 8 in 1nv7
Go back to
Thallium Binding Sites List in 1nv7
Thallium binding site 8 out
of 8 in the Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm)
Mono view
Stereo pair view
|
A full contact list of Thallium with other atoms in the Tl binding
site number 8 of Fructose-1,6-Bisphosphatase Complex with Amp, Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Tl4354
b:0.9
occ:1.00
|
O4
|
B:PO44434
|
2.5
|
33.8
|
1.0
|
OD1
|
B:ASP2118
|
2.7
|
17.4
|
1.0
|
O
|
B:LEU2120
|
2.7
|
17.8
|
1.0
|
OE2
|
B:GLU2097
|
2.8
|
50.5
|
1.0
|
O1
|
B:PO44434
|
3.0
|
33.8
|
1.0
|
OE1
|
B:GLU2098
|
3.1
|
37.2
|
1.0
|
CD
|
B:GLU2097
|
3.2
|
35.2
|
1.0
|
TL
|
B:TL4353
|
3.3
|
0.6
|
1.0
|
P
|
B:PO44434
|
3.3
|
33.7
|
1.0
|
OE1
|
B:GLU2097
|
3.5
|
32.2
|
1.0
|
O
|
B:HOH5310
|
3.5
|
33.7
|
1.0
|
CG
|
B:ASP2118
|
3.7
|
19.8
|
1.0
|
C
|
B:LEU2120
|
3.8
|
17.0
|
1.0
|
OD2
|
B:ASP2118
|
4.0
|
25.3
|
1.0
|
MG
|
B:MG4341
|
4.0
|
24.7
|
1.0
|
CD
|
B:GLU2098
|
4.2
|
24.0
|
1.0
|
CG
|
B:GLU2097
|
4.2
|
25.3
|
1.0
|
N
|
B:LEU2120
|
4.3
|
12.2
|
1.0
|
O3
|
B:PO44434
|
4.3
|
33.3
|
1.0
|
O2
|
B:PO44434
|
4.4
|
33.4
|
1.0
|
CB
|
B:GLU2097
|
4.4
|
18.5
|
1.0
|
CA
|
B:ASP2121
|
4.4
|
15.6
|
1.0
|
CA
|
B:LEU2120
|
4.6
|
12.8
|
1.0
|
N
|
B:ASP2121
|
4.6
|
16.4
|
1.0
|
CD
|
B:PRO2119
|
4.7
|
11.9
|
1.0
|
OD2
|
B:ASP2121
|
4.9
|
9.8
|
1.0
|
OE2
|
B:GLU2098
|
4.9
|
31.8
|
1.0
|
CB
|
B:LEU2120
|
4.9
|
12.2
|
1.0
|
CG
|
B:PRO2119
|
5.0
|
12.1
|
1.0
|
CB
|
B:ASP2118
|
5.0
|
15.8
|
1.0
|
N
|
B:PRO2119
|
5.0
|
12.3
|
1.0
|
|
Reference:
J.Y.Choe,
S.W.Nelson,
H.J.Fromm,
R.B.Honzatko.
Interaction of Tl+ with Product Complexes of Fructose-1,6-Bisphosphatase J.Biol.Chem. V. 278 16008 2003.
ISSN: ISSN 0021-9258
PubMed: 12595529
DOI: 10.1074/JBC.M212394200
Page generated: Wed Dec 16 02:28:36 2020
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