Thallium in PDB 1nv1: Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm)
Enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm)
All present enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm):
3.1.3.11;
Protein crystallography data
The structure of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm), PDB code: 1nv1
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 /
1.90
|
Space group
|
I 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
53.074,
82.829,
165.173,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.3 /
25.5
|
Other elements in 1nv1:
The structure of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm) also contains other interesting chemical elements:
Thallium Binding Sites:
The binding sites of Thallium atom in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm)
(pdb code 1nv1). 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 Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm), PDB code: 1nv1:
Jump to Thallium binding site number:
1;
2;
3;
4;
5;
6;
Thallium binding site 1 out
of 6 in 1nv1
Go back to
Thallium Binding Sites List in 1nv1
Thallium binding site 1 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2342
b:23.5
occ:0.06
|
MG
|
A:MG2341
|
0.6
|
22.8
|
0.9
|
OD1
|
A:ASP1121
|
1.6
|
14.9
|
1.0
|
OD1
|
A:ASP1118
|
2.2
|
22.8
|
1.0
|
CG
|
A:ASP1121
|
2.4
|
22.0
|
1.0
|
O2
|
A:PO42340
|
2.4
|
26.7
|
1.0
|
OE1
|
A:GLU1280
|
2.4
|
21.5
|
1.0
|
CB
|
A:ASP1121
|
2.7
|
18.4
|
1.0
|
O1
|
A:F6P2339
|
2.8
|
14.2
|
0.5
|
CA
|
A:ASP1121
|
3.2
|
21.0
|
1.0
|
CG
|
A:ASP1118
|
3.4
|
22.5
|
1.0
|
CD
|
A:GLU1280
|
3.5
|
27.3
|
1.0
|
OD2
|
A:ASP1121
|
3.6
|
18.3
|
1.0
|
P
|
A:PO42340
|
3.6
|
24.8
|
1.0
|
O3
|
A:F6P2339
|
3.7
|
19.6
|
1.0
|
O1
|
A:PO42340
|
3.8
|
14.7
|
1.0
|
CG
|
A:GLU1280
|
3.9
|
13.9
|
1.0
|
C1
|
A:F6P2339
|
3.9
|
19.5
|
1.0
|
TL
|
A:TL2344
|
3.9
|
8.3
|
0.1
|
OD2
|
A:ASP1118
|
3.9
|
16.6
|
1.0
|
N
|
A:GLY1122
|
4.0
|
18.8
|
1.0
|
C
|
A:ASP1121
|
4.0
|
24.2
|
1.0
|
CD1
|
A:ILE1135
|
4.1
|
25.8
|
1.0
|
O3
|
A:PO42340
|
4.1
|
28.3
|
1.0
|
C3
|
A:F6P2339
|
4.3
|
25.7
|
1.0
|
N
|
A:ASP1121
|
4.4
|
10.9
|
1.0
|
CB
|
A:ASP1118
|
4.5
|
15.7
|
1.0
|
C2
|
A:F6P2339
|
4.5
|
28.3
|
1.0
|
OE2
|
A:GLU1280
|
4.6
|
19.3
|
1.0
|
O
|
A:LEU1120
|
4.7
|
15.6
|
1.0
|
OE2
|
A:GLU1097
|
4.7
|
20.1
|
1.0
|
O2
|
A:F6P2339
|
4.7
|
21.3
|
1.0
|
MG
|
A:MG2343
|
4.7
|
28.6
|
0.7
|
O4
|
A:PO42340
|
4.8
|
40.8
|
1.0
|
O1
|
A:F6P2339
|
4.8
|
8.3
|
0.5
|
C
|
A:LEU1120
|
4.9
|
10.8
|
1.0
|
|
Thallium binding site 2 out
of 6 in 1nv1
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Thallium Binding Sites List in 1nv1
Thallium binding site 2 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2344
b:8.3
occ:0.06
|
MG
|
A:MG2343
|
0.8
|
28.6
|
0.7
|
OD2
|
A:ASP1118
|
1.9
|
16.6
|
1.0
|
OE2
|
A:GLU1097
|
2.0
|
20.1
|
1.0
|
O2
|
A:PO42340
|
2.0
|
26.7
|
1.0
|
O
|
A:LEU1120
|
2.2
|
15.6
|
1.0
|
O4
|
A:PO42340
|
2.4
|
40.8
|
1.0
|
P
|
A:PO42340
|
2.7
|
24.8
|
1.0
|
CG
|
A:ASP1118
|
2.8
|
22.5
|
1.0
|
CD
|
A:GLU1097
|
3.1
|
21.7
|
1.0
|
OD1
|
A:ASP1118
|
3.2
|
22.8
|
1.0
|
C
|
A:LEU1120
|
3.2
|
10.8
|
1.0
|
OE1
|
A:GLU1097
|
3.5
|
28.2
|
1.0
|
MG
|
A:MG2341
|
3.6
|
22.8
|
0.9
|
O3
|
A:PO42340
|
3.7
|
28.3
|
1.0
|
CA
|
A:ASP1121
|
3.8
|
21.0
|
1.0
|
O1
|
A:PO42340
|
3.9
|
14.7
|
1.0
|
N
|
A:ASP1121
|
3.9
|
10.9
|
1.0
|
TL
|
A:TL2342
|
3.9
|
23.5
|
0.1
|
TL
|
A:TL2346
|
3.9
|
24.2
|
0.1
|
N
|
A:LEU1120
|
4.1
|
13.5
|
1.0
|
TL
|
A:TL2345
|
4.2
|
26.9
|
0.1
|
CB
|
A:ASP1118
|
4.2
|
15.7
|
1.0
|
CA
|
A:LEU1120
|
4.3
|
21.5
|
1.0
|
OE2
|
A:GLU1098
|
4.4
|
23.2
|
1.0
|
CG
|
A:GLU1097
|
4.4
|
17.1
|
1.0
|
OD1
|
A:ASP1074
|
4.4
|
31.5
|
1.0
|
CB
|
A:ASP1121
|
4.5
|
18.4
|
1.0
|
CB
|
A:GLU1097
|
4.6
|
14.6
|
1.0
|
CA
|
A:ASP1118
|
4.7
|
15.5
|
1.0
|
O1
|
A:F6P2339
|
4.7
|
14.2
|
0.5
|
C
|
A:ASP1118
|
4.7
|
13.3
|
1.0
|
CD
|
A:PRO1119
|
4.8
|
13.2
|
1.0
|
C
|
A:ASP1121
|
4.9
|
24.2
|
1.0
|
N
|
A:PRO1119
|
4.9
|
17.8
|
1.0
|
CB
|
A:LEU1120
|
4.9
|
21.5
|
1.0
|
OE1
|
A:GLU1280
|
5.0
|
21.5
|
1.0
|
N
|
A:GLY1122
|
5.0
|
18.8
|
1.0
|
|
Thallium binding site 3 out
of 6 in 1nv1
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Thallium Binding Sites List in 1nv1
Thallium binding site 3 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2345
b:26.9
occ:0.08
|
OE2
|
A:GLU1098
|
2.4
|
23.2
|
1.0
|
OE1
|
A:GLU1097
|
2.7
|
28.2
|
1.0
|
ND2
|
A:ASN1064
|
2.9
|
48.8
|
1.0
|
CD
|
A:GLU1097
|
3.3
|
21.7
|
1.0
|
O4
|
A:PO42340
|
3.3
|
40.8
|
1.0
|
CD
|
A:GLU1098
|
3.4
|
27.0
|
1.0
|
OE1
|
A:GLU1098
|
3.6
|
28.6
|
1.0
|
OD2
|
A:ASP1068
|
3.7
|
56.4
|
1.0
|
CG
|
A:ASN1064
|
3.7
|
63.7
|
1.0
|
OE2
|
A:GLU1097
|
3.7
|
20.1
|
1.0
|
OD2
|
A:ASP1074
|
3.7
|
33.2
|
1.0
|
MG
|
A:MG2343
|
3.7
|
28.6
|
0.7
|
CG
|
A:ASP1068
|
3.8
|
64.5
|
1.0
|
OD1
|
A:ASN1064
|
3.9
|
79.1
|
1.0
|
CG
|
A:ASP1074
|
4.0
|
30.3
|
1.0
|
OD1
|
A:ASP1068
|
4.0
|
78.3
|
1.0
|
CG
|
A:GLU1097
|
4.1
|
17.1
|
1.0
|
OD1
|
A:ASP1074
|
4.2
|
31.5
|
1.0
|
TL
|
A:TL2344
|
4.2
|
8.3
|
0.1
|
P
|
A:PO42340
|
4.4
|
24.8
|
1.0
|
O3
|
A:PO42340
|
4.5
|
28.3
|
1.0
|
CB
|
A:ASP1068
|
4.5
|
68.7
|
1.0
|
TL
|
A:TL2346
|
4.7
|
24.2
|
0.1
|
CG
|
A:GLU1098
|
4.8
|
19.2
|
1.0
|
CB
|
A:ASN1064
|
4.8
|
61.0
|
1.0
|
CB
|
A:ASP1074
|
4.9
|
26.8
|
1.0
|
CG2
|
A:VAL1070
|
4.9
|
61.8
|
1.0
|
|
Thallium binding site 4 out
of 6 in 1nv1
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Thallium Binding Sites List in 1nv1
Thallium binding site 4 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2346
b:24.2
occ:0.10
|
OD1
|
A:ASP1074
|
2.6
|
31.5
|
1.0
|
O4
|
A:PO42340
|
2.8
|
40.8
|
1.0
|
O
|
A:LEU1120
|
2.9
|
15.6
|
1.0
|
CB
|
A:SER1123
|
3.0
|
18.4
|
1.0
|
CA
|
A:SER1123
|
3.2
|
21.7
|
1.0
|
OG
|
A:SER1123
|
3.4
|
40.3
|
1.0
|
CG
|
A:ASP1074
|
3.5
|
30.3
|
1.0
|
N
|
A:SER1123
|
3.5
|
20.6
|
1.0
|
OD2
|
A:ASP1074
|
3.6
|
33.2
|
1.0
|
MG
|
A:MG2343
|
3.7
|
28.6
|
0.7
|
C
|
A:LEU1120
|
3.8
|
10.8
|
1.0
|
P
|
A:PO42340
|
3.8
|
24.8
|
1.0
|
O1
|
A:PO42340
|
3.9
|
14.7
|
1.0
|
TL
|
A:TL2344
|
3.9
|
8.3
|
0.1
|
CB
|
A:LEU1120
|
3.9
|
21.5
|
1.0
|
CG
|
A:LEU1120
|
4.1
|
18.6
|
1.0
|
CD2
|
A:LEU1120
|
4.2
|
30.4
|
1.0
|
C
|
A:GLY1122
|
4.4
|
15.4
|
1.0
|
N
|
A:GLY1122
|
4.5
|
18.8
|
1.0
|
O2
|
A:PO42340
|
4.5
|
26.7
|
1.0
|
CA
|
A:LEU1120
|
4.5
|
21.5
|
1.0
|
N
|
A:ASP1121
|
4.6
|
10.9
|
1.0
|
C
|
A:ASP1121
|
4.7
|
24.2
|
1.0
|
C
|
A:SER1123
|
4.7
|
22.4
|
1.0
|
CA
|
A:ASP1121
|
4.7
|
21.0
|
1.0
|
TL
|
A:TL2345
|
4.7
|
26.9
|
0.1
|
CG1
|
A:ILE1126
|
4.7
|
18.1
|
1.0
|
CB
|
A:ASP1074
|
4.9
|
26.8
|
1.0
|
CG
|
A:LYS1071
|
4.9
|
35.0
|
1.0
|
|
Thallium binding site 5 out
of 6 in 1nv1
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Thallium Binding Sites List in 1nv1
Thallium binding site 5 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2347
b:29.1
occ:0.11
|
TL
|
A:TL2348
|
2.5
|
29.2
|
0.1
|
OE1
|
A:GLU1097
|
2.9
|
28.2
|
1.0
|
O3
|
A:PO42340
|
3.2
|
28.3
|
1.0
|
CD
|
A:GLU1097
|
3.5
|
21.7
|
1.0
|
NE
|
A:ARG1276
|
3.5
|
42.9
|
1.0
|
CG
|
A:ARG1276
|
3.7
|
29.6
|
1.0
|
OD2
|
A:ASP1068
|
3.8
|
56.4
|
1.0
|
O1
|
A:F6P2339
|
3.9
|
8.3
|
0.5
|
CG
|
A:GLU1097
|
4.0
|
17.1
|
1.0
|
OE1
|
A:GLU1280
|
4.0
|
21.5
|
1.0
|
OE2
|
A:GLU1280
|
4.0
|
19.3
|
1.0
|
OE2
|
A:GLU1097
|
4.1
|
20.1
|
1.0
|
CD
|
A:ARG1276
|
4.3
|
37.7
|
1.0
|
CD
|
A:GLU1280
|
4.3
|
27.3
|
1.0
|
O1
|
A:F6P2339
|
4.4
|
14.2
|
0.5
|
NH1
|
A:ARG1276
|
4.4
|
30.4
|
1.0
|
CZ
|
A:ARG1276
|
4.4
|
40.8
|
1.0
|
P
|
A:PO42340
|
4.5
|
24.8
|
1.0
|
O2
|
A:PO42340
|
4.6
|
26.7
|
1.0
|
C1
|
A:F6P2339
|
4.6
|
19.5
|
1.0
|
CG
|
A:ASP1068
|
5.0
|
64.5
|
1.0
|
CE1
|
A:TYR1279
|
5.0
|
17.0
|
1.0
|
|
Thallium binding site 6 out
of 6 in 1nv1
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Thallium Binding Sites List in 1nv1
Thallium binding site 6 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (5 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2348
b:29.2
occ:0.10
|
TL
|
A:TL2347
|
2.5
|
29.1
|
0.1
|
OE2
|
A:GLU1280
|
2.7
|
19.3
|
1.0
|
O1
|
A:F6P2339
|
3.1
|
8.3
|
0.5
|
OE1
|
A:GLU1280
|
3.3
|
21.5
|
1.0
|
C1
|
A:F6P2339
|
3.3
|
19.5
|
1.0
|
CD
|
A:GLU1280
|
3.4
|
27.3
|
1.0
|
O
|
A:LYS1274
|
3.7
|
20.1
|
1.0
|
O1
|
A:F6P2339
|
3.8
|
14.2
|
0.5
|
CG
|
A:ARG1276
|
3.8
|
29.6
|
1.0
|
CA
|
A:LEU1275
|
3.9
|
18.0
|
1.0
|
O3
|
A:PO42340
|
4.0
|
28.3
|
1.0
|
CD2
|
A:LEU1275
|
4.1
|
19.6
|
1.0
|
CE
|
A:LYS1274
|
4.1
|
23.6
|
1.0
|
N
|
A:ARG1276
|
4.1
|
20.2
|
1.0
|
NE
|
A:ARG1276
|
4.2
|
42.9
|
1.0
|
CG
|
A:LYS1274
|
4.2
|
20.7
|
1.0
|
C
|
A:LYS1274
|
4.3
|
12.5
|
1.0
|
C
|
A:LEU1275
|
4.4
|
24.4
|
1.0
|
N
|
A:LEU1275
|
4.5
|
14.9
|
1.0
|
CD
|
A:ARG1276
|
4.5
|
37.7
|
1.0
|
CD
|
A:LYS1274
|
4.6
|
14.6
|
1.0
|
CB
|
A:LEU1275
|
4.7
|
18.1
|
1.0
|
C2
|
A:F6P2339
|
4.8
|
28.3
|
1.0
|
NH1
|
A:ARG1313
|
4.8
|
23.3
|
1.0
|
MG
|
A:MG2341
|
4.8
|
22.8
|
0.9
|
CB
|
A:ARG1276
|
4.9
|
16.3
|
1.0
|
CG
|
A:GLU1280
|
4.9
|
13.9
|
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: Fri Oct 11 09:21:34 2024
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