Thallium in PDB 1nv2: Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm)
Enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm)
All present enzymatic activity of Fructose-1,6-Bisphosphatase Complex with 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm), PDB code: 1nv2
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 /
2.10
|
Space group
|
I 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
52.361,
82.765,
165.288,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.8 /
24.8
|
Other elements in 1nv2:
The structure of Fructose-1,6-Bisphosphatase Complex with 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm)
(pdb code 1nv2). 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 (20 Mm), PDB code: 1nv2:
Jump to Thallium binding site number:
1;
2;
3;
4;
5;
6;
Thallium binding site 1 out
of 6 in 1nv2
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Thallium Binding Sites List in 1nv2
Thallium binding site 1 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2342
b:17.8
occ:0.04
|
MG
|
A:MG2341
|
0.4
|
36.7
|
0.6
|
OD1
|
A:ASP1121
|
1.8
|
17.5
|
1.0
|
O2
|
A:PI2340
|
2.0
|
39.1
|
1.0
|
OE1
|
A:GLU1280
|
2.0
|
22.6
|
1.0
|
OD1
|
A:ASP1118
|
2.2
|
27.3
|
1.0
|
O3
|
A:PI2340
|
2.7
|
26.9
|
1.0
|
OE2
|
A:GLU1097
|
2.7
|
38.4
|
1.0
|
P
|
A:PI2340
|
2.8
|
34.9
|
1.0
|
CG
|
A:ASP1121
|
2.9
|
22.9
|
1.0
|
CD
|
A:GLU1280
|
3.2
|
19.8
|
1.0
|
CG
|
A:ASP1118
|
3.2
|
24.3
|
1.0
|
O1
|
A:PI2340
|
3.4
|
26.2
|
1.0
|
CB
|
A:ASP1121
|
3.5
|
23.1
|
1.0
|
OD2
|
A:ASP1118
|
3.6
|
26.9
|
1.0
|
CD
|
A:GLU1097
|
3.6
|
32.5
|
1.0
|
CG
|
A:GLU1280
|
3.8
|
11.2
|
1.0
|
C1
|
A:F6P2339
|
3.8
|
22.4
|
1.0
|
OE1
|
A:GLU1097
|
3.9
|
22.9
|
1.0
|
CA
|
A:ASP1121
|
3.9
|
24.4
|
1.0
|
TL
|
A:TL2344
|
3.9
|
30.7
|
0.1
|
MG
|
A:MG2343
|
3.9
|
34.5
|
0.5
|
TL
|
A:TL2347
|
4.0
|
25.2
|
0.3
|
OD2
|
A:ASP1121
|
4.0
|
23.6
|
1.0
|
O1
|
A:F6P2339
|
4.0
|
24.5
|
1.0
|
O4
|
A:PI2340
|
4.1
|
39.9
|
1.0
|
TL
|
A:TL2348
|
4.1
|
32.0
|
0.2
|
OE2
|
A:GLU1280
|
4.2
|
19.4
|
1.0
|
CB
|
A:ASP1118
|
4.4
|
14.6
|
1.0
|
O
|
A:LEU1120
|
4.5
|
10.9
|
1.0
|
N
|
A:GLY1122
|
4.7
|
25.4
|
1.0
|
C
|
A:ASP1121
|
4.8
|
27.8
|
1.0
|
C2
|
A:F6P2339
|
4.9
|
25.9
|
1.0
|
N
|
A:ASP1121
|
4.9
|
11.6
|
1.0
|
O2
|
A:F6P2339
|
5.0
|
17.9
|
1.0
|
CG
|
A:GLU1097
|
5.0
|
22.6
|
1.0
|
O3
|
A:F6P2339
|
5.0
|
21.8
|
1.0
|
|
Thallium binding site 2 out
of 6 in 1nv2
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Thallium Binding Sites List in 1nv2
Thallium binding site 2 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2344
b:30.7
occ:0.07
|
MG
|
A:MG2343
|
0.0
|
34.5
|
0.5
|
OE1
|
A:GLU1097
|
1.9
|
22.9
|
1.0
|
O
|
A:LEU1120
|
2.1
|
10.9
|
1.0
|
O2
|
A:PI2340
|
2.4
|
39.1
|
1.0
|
OD2
|
A:ASP1118
|
2.4
|
26.9
|
1.0
|
CD
|
A:GLU1097
|
3.0
|
32.5
|
1.0
|
O4
|
A:PI2340
|
3.1
|
39.9
|
1.0
|
C
|
A:LEU1120
|
3.2
|
23.6
|
1.0
|
P
|
A:PI2340
|
3.3
|
34.9
|
1.0
|
CG
|
A:ASP1118
|
3.5
|
24.3
|
1.0
|
TL
|
A:TL2346
|
3.5
|
25.5
|
0.2
|
OE2
|
A:GLU1097
|
3.5
|
38.4
|
1.0
|
OE2
|
A:GLU1098
|
3.5
|
34.6
|
1.0
|
MG
|
A:MG2341
|
3.5
|
36.7
|
0.6
|
OD1
|
A:ASP1074
|
3.7
|
33.0
|
1.0
|
TL
|
A:TL2345
|
3.7
|
27.2
|
0.2
|
OD1
|
A:ASP1118
|
3.8
|
27.3
|
1.0
|
TL
|
A:TL2342
|
3.9
|
17.8
|
0.0
|
N
|
A:LEU1120
|
4.1
|
17.3
|
1.0
|
N
|
A:ASP1121
|
4.1
|
11.6
|
1.0
|
CA
|
A:ASP1121
|
4.1
|
24.4
|
1.0
|
O3
|
A:PI2340
|
4.1
|
26.9
|
1.0
|
CA
|
A:LEU1120
|
4.1
|
24.1
|
1.0
|
CG
|
A:GLU1097
|
4.2
|
22.6
|
1.0
|
O1
|
A:PI2340
|
4.5
|
26.2
|
1.0
|
CG
|
A:ASP1074
|
4.5
|
23.7
|
1.0
|
CB
|
A:LEU1120
|
4.6
|
18.8
|
1.0
|
CB
|
A:GLU1097
|
4.7
|
16.6
|
1.0
|
CD
|
A:PRO1119
|
4.7
|
13.3
|
1.0
|
CD
|
A:GLU1098
|
4.7
|
22.8
|
1.0
|
CB
|
A:ASP1118
|
4.8
|
14.6
|
1.0
|
OG
|
A:SER1123
|
4.8
|
33.9
|
1.0
|
CB
|
A:ASP1121
|
4.9
|
23.1
|
1.0
|
OD2
|
A:ASP1074
|
4.9
|
42.8
|
1.0
|
N
|
A:PRO1119
|
4.9
|
16.1
|
1.0
|
|
Thallium binding site 3 out
of 6 in 1nv2
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Thallium Binding Sites List in 1nv2
Thallium binding site 3 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2345
b:27.2
occ:0.25
|
OE2
|
A:GLU1098
|
2.5
|
34.6
|
1.0
|
ND2
|
A:ASN1064
|
2.8
|
56.5
|
1.0
|
OE1
|
A:GLU1097
|
3.0
|
22.9
|
1.0
|
OE1
|
A:GLU1098
|
3.2
|
31.4
|
1.0
|
CD
|
A:GLU1098
|
3.2
|
22.8
|
1.0
|
CD
|
A:GLU1097
|
3.6
|
32.5
|
1.0
|
O4
|
A:PI2340
|
3.7
|
39.9
|
1.0
|
TL
|
A:TL2344
|
3.7
|
30.7
|
0.1
|
CG
|
A:ASN1064
|
3.8
|
70.7
|
1.0
|
MG
|
A:MG2343
|
3.8
|
34.5
|
0.5
|
OD2
|
A:ASP1074
|
3.9
|
42.8
|
1.0
|
CG
|
A:GLU1097
|
4.0
|
22.6
|
1.0
|
OD2
|
A:ASP1068
|
4.1
|
84.7
|
1.0
|
CB
|
A:ASP1068
|
4.1
|
86.5
|
1.0
|
OD1
|
A:ASN1064
|
4.3
|
70.1
|
1.0
|
CG
|
A:ASP1074
|
4.3
|
23.7
|
1.0
|
OE2
|
A:GLU1097
|
4.5
|
38.4
|
1.0
|
OD1
|
A:ASP1074
|
4.5
|
33.0
|
1.0
|
CG
|
A:ASP1068
|
4.6
|
88.5
|
1.0
|
CG
|
A:GLU1098
|
4.7
|
21.7
|
1.0
|
P
|
A:PI2340
|
4.7
|
34.9
|
1.0
|
CB
|
A:ASN1064
|
4.7
|
77.8
|
1.0
|
O3
|
A:PI2340
|
4.8
|
26.9
|
1.0
|
OG
|
A:SER1123
|
4.9
|
33.9
|
1.0
|
O2
|
A:PI2340
|
5.0
|
39.1
|
1.0
|
|
Thallium binding site 4 out
of 6 in 1nv2
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Thallium Binding Sites List in 1nv2
Thallium binding site 4 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2346
b:25.5
occ:0.25
|
OG
|
A:SER1123
|
2.5
|
33.9
|
1.0
|
OD1
|
A:ASP1074
|
2.7
|
33.0
|
1.0
|
O
|
A:LEU1120
|
2.8
|
10.9
|
1.0
|
O4
|
A:PI2340
|
3.2
|
39.9
|
1.0
|
CG
|
A:ASP1074
|
3.4
|
23.7
|
1.0
|
OD2
|
A:ASP1074
|
3.5
|
42.8
|
1.0
|
TL
|
A:TL2344
|
3.5
|
30.7
|
0.1
|
MG
|
A:MG2343
|
3.5
|
34.5
|
0.5
|
CA
|
A:SER1123
|
3.6
|
29.7
|
1.0
|
CB
|
A:SER1123
|
3.6
|
24.7
|
1.0
|
C
|
A:LEU1120
|
3.6
|
23.6
|
1.0
|
N
|
A:SER1123
|
3.7
|
24.4
|
1.0
|
CB
|
A:LEU1120
|
3.9
|
18.8
|
1.0
|
P
|
A:PI2340
|
4.0
|
34.9
|
1.0
|
O2
|
A:PI2340
|
4.1
|
39.1
|
1.0
|
O1
|
A:PI2340
|
4.3
|
26.2
|
1.0
|
CG
|
A:LEU1120
|
4.3
|
21.0
|
1.0
|
CD2
|
A:LEU1120
|
4.4
|
24.5
|
1.0
|
N
|
A:GLY1122
|
4.4
|
25.4
|
1.0
|
CA
|
A:LEU1120
|
4.4
|
24.1
|
1.0
|
N
|
A:ASP1121
|
4.4
|
11.6
|
1.0
|
CA
|
A:ASP1121
|
4.5
|
24.4
|
1.0
|
C
|
A:GLY1122
|
4.5
|
22.4
|
1.0
|
C
|
A:ASP1121
|
4.6
|
27.8
|
1.0
|
CG1
|
A:ILE1126
|
4.8
|
18.4
|
1.0
|
CB
|
A:ASP1074
|
4.9
|
21.2
|
1.0
|
CG
|
A:LYS1071
|
4.9
|
40.6
|
1.0
|
CD1
|
A:ILE1126
|
4.9
|
28.2
|
1.0
|
|
Thallium binding site 5 out
of 6 in 1nv2
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Thallium Binding Sites List in 1nv2
Thallium binding site 5 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2347
b:25.2
occ:0.30
|
TL
|
A:TL2348
|
2.5
|
32.0
|
0.2
|
OE2
|
A:GLU1097
|
2.7
|
38.4
|
1.0
|
O3
|
A:PI2340
|
2.8
|
26.9
|
1.0
|
OD2
|
A:ASP1068
|
3.4
|
84.7
|
1.0
|
OE1
|
A:GLU1280
|
3.5
|
22.6
|
1.0
|
CD
|
A:GLU1097
|
3.5
|
32.5
|
1.0
|
NE
|
A:ARG1276
|
3.6
|
37.0
|
1.0
|
MG
|
A:MG2341
|
3.7
|
36.7
|
0.6
|
O1
|
A:F6P2339
|
3.8
|
24.5
|
1.0
|
CG
|
A:ARG1276
|
3.9
|
15.6
|
1.0
|
TL
|
A:TL2342
|
4.0
|
17.8
|
0.0
|
CG
|
A:GLU1097
|
4.1
|
22.6
|
1.0
|
CG
|
A:ASP1068
|
4.2
|
88.5
|
1.0
|
P
|
A:PI2340
|
4.2
|
34.9
|
1.0
|
NH1
|
A:ARG1276
|
4.3
|
33.7
|
1.0
|
CD
|
A:GLU1280
|
4.3
|
19.8
|
1.0
|
CD
|
A:ARG1276
|
4.4
|
24.9
|
1.0
|
OE1
|
A:GLU1097
|
4.4
|
22.9
|
1.0
|
CZ
|
A:ARG1276
|
4.4
|
41.6
|
1.0
|
OE2
|
A:GLU1280
|
4.4
|
19.4
|
1.0
|
O2
|
A:PI2340
|
4.6
|
39.1
|
1.0
|
OD1
|
A:ASP1068
|
4.7
|
0.8
|
1.0
|
C1
|
A:F6P2339
|
4.7
|
22.4
|
1.0
|
O4
|
A:PI2340
|
4.8
|
39.9
|
1.0
|
|
Thallium binding site 6 out
of 6 in 1nv2
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Thallium Binding Sites List in 1nv2
Thallium binding site 6 out
of 6 in the Fructose-1,6-Bisphosphatase Complex with 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 Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (20 Mm) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Tl2348
b:32.0
occ:0.18
|
TL
|
A:TL2347
|
2.5
|
25.2
|
0.3
|
O1
|
A:F6P2339
|
2.8
|
24.5
|
1.0
|
OE2
|
A:GLU1280
|
2.9
|
19.4
|
1.0
|
OE1
|
A:GLU1280
|
2.9
|
22.6
|
1.0
|
C1
|
A:F6P2339
|
3.2
|
22.4
|
1.0
|
CD
|
A:GLU1280
|
3.3
|
19.8
|
1.0
|
O3
|
A:PI2340
|
3.6
|
26.9
|
1.0
|
O
|
A:LYS1274
|
3.9
|
14.0
|
1.0
|
CG
|
A:ARG1276
|
3.9
|
15.6
|
1.0
|
CA
|
A:LEU1275
|
4.0
|
12.7
|
1.0
|
TL
|
A:TL2342
|
4.1
|
17.8
|
0.0
|
CD2
|
A:LEU1275
|
4.1
|
13.5
|
1.0
|
MG
|
A:MG2341
|
4.1
|
36.7
|
0.6
|
CE
|
A:LYS1274
|
4.2
|
18.8
|
1.0
|
NE
|
A:ARG1276
|
4.2
|
37.0
|
1.0
|
CG
|
A:LYS1274
|
4.2
|
17.3
|
1.0
|
OE2
|
A:GLU1097
|
4.3
|
38.4
|
1.0
|
N
|
A:ARG1276
|
4.3
|
25.7
|
1.0
|
C
|
A:LYS1274
|
4.5
|
11.6
|
1.0
|
CD
|
A:ARG1276
|
4.6
|
24.9
|
1.0
|
N
|
A:LEU1275
|
4.6
|
10.9
|
1.0
|
C
|
A:LEU1275
|
4.6
|
20.3
|
1.0
|
C2
|
A:F6P2339
|
4.7
|
25.9
|
1.0
|
NH1
|
A:ARG1313
|
4.7
|
45.0
|
1.0
|
CD
|
A:LYS1274
|
4.8
|
15.2
|
1.0
|
CG
|
A:GLU1280
|
4.8
|
11.2
|
1.0
|
OD2
|
A:ASP1068
|
4.8
|
84.7
|
1.0
|
CB
|
A:LEU1275
|
4.8
|
11.1
|
1.0
|
P
|
A:PI2340
|
4.9
|
34.9
|
1.0
|
OD1
|
A:ASP1121
|
5.0
|
17.5
|
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 09:23:34 2024
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