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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:

Magnesium (Mg) 2 atoms

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 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 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 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 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 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 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 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

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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: Fri Oct 11 09:29:10 2024

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