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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

Go back to 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 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

Go back to 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

Go back to 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

Go back to 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 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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