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Thallium in PDB 1nv4: Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 Mm)

Enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 Mm)

All present enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 Mm):
3.1.3.11;

Protein crystallography data

The structure of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 Mm), PDB code: 1nv4 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 (%) 18.9 / 23.6

Other elements in 1nv4:

The structure of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 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 Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 Mm) (pdb code 1nv4). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 3 binding sites of Thallium where determined in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 Mm), PDB code: 1nv4:
Jump to Thallium binding site number: 1; 2; 3;

Thallium binding site 1 out of 3 in 1nv4

Go back to Thallium Binding Sites List in 1nv4
Thallium binding site 1 out of 3 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 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, Edta and Thallium (1 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2341

b:28.9
occ:0.05
MG A:MG2342 0.3 22.3 0.8
O A:HOH3056 1.9 20.9 1.0
OE1 A:GLU1097 1.9 20.5 1.0
O A:LEU1120 2.1 15.1 1.0
O2 A:PO42340 2.2 28.6 1.0
OD2 A:ASP1118 2.3 19.4 1.0
O4 A:PO42340 2.3 37.3 1.0
P A:PO42340 2.8 24.9 1.0
CD A:GLU1097 3.0 20.4 1.0
C A:LEU1120 3.2 12.7 1.0
CG A:ASP1118 3.3 21.2 1.0
OE2 A:GLU1097 3.4 26.7 1.0
O A:HOH3139 3.6 53.2 1.0
OD1 A:ASP1118 3.7 19.4 1.0
O3 A:PO42340 3.8 25.4 1.0
OE2 A:GLU1098 3.8 28.5 1.0
OD2 A:ASP1074 3.9 31.2 1.0
O1 A:PO42340 4.0 17.5 1.0
N A:ASP1121 4.0 13.2 1.0
CA A:ASP1121 4.0 22.1 1.0
N A:LEU1120 4.1 19.4 1.0
CA A:LEU1120 4.1 23.3 1.0
MG A:MG2344 4.3 29.7 0.8
TL A:TL2343 4.3 30.6 0.1
CG A:GLU1097 4.3 17.0 1.0
OG A:SER1123 4.3 41.3 1.0
CB A:LEU1120 4.6 14.8 1.0
CB A:ASP1118 4.6 12.9 1.0
CB A:GLU1097 4.7 13.8 1.0
CD A:PRO1119 4.7 13.9 1.0
CG A:ASP1074 4.9 31.7 1.0
N A:PRO1119 4.9 17.5 1.0
CB A:ASP1121 4.9 20.7 1.0
C A:ASP1118 4.9 12.3 1.0

Thallium binding site 2 out of 3 in 1nv4

Go back to Thallium Binding Sites List in 1nv4
Thallium binding site 2 out of 3 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 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, Edta and Thallium (1 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2343

b:30.6
occ:0.10
MG A:MG2344 0.0 29.7 0.8
OD1 A:ASP1121 1.9 11.2 1.0
OD1 A:ASP1118 2.2 19.4 1.0
O2 A:PO42340 2.3 28.6 1.0
OE1 A:GLU1280 2.3 18.6 1.0
O1 A:F6P2339 2.5 25.3 0.5
CG A:ASP1121 2.8 19.0 1.0
CB A:ASP1121 3.0 20.7 1.0
CA A:ASP1121 3.3 22.1 1.0
P A:PO42340 3.4 24.9 1.0
CD A:GLU1280 3.4 25.0 1.0
CG A:ASP1118 3.4 21.2 1.0
O1 A:PO42340 3.6 17.5 1.0
C1 A:F6P2339 3.7 22.7 1.0
CG A:GLU1280 3.8 11.0 1.0
O3 A:PO42340 3.8 25.4 1.0
O3 A:F6P2339 3.9 15.4 1.0
OD2 A:ASP1118 3.9 19.4 1.0
OD2 A:ASP1121 3.9 18.0 1.0
MG A:MG2342 4.0 22.3 0.8
N A:GLY1122 4.1 22.1 1.0
C A:ASP1121 4.2 21.6 1.0
TL A:TL2341 4.3 28.9 0.1
C3 A:F6P2339 4.3 17.7 1.0
CD1 A:ILE1135 4.4 24.5 1.0
C2 A:F6P2339 4.4 18.7 1.0
OE2 A:GLU1280 4.5 19.4 1.0
O1 A:F6P2339 4.5 12.1 0.5
N A:ASP1121 4.5 13.2 1.0
CB A:ASP1118 4.6 12.9 1.0
O4 A:PO42340 4.6 37.3 1.0
O A:LEU1120 4.7 15.1 1.0
O2 A:F6P2339 4.7 22.6 1.0
OE1 A:GLU1097 4.7 20.5 1.0
NH1 A:ARG1276 4.8 57.5 1.0

Thallium binding site 3 out of 3 in 1nv4

Go back to Thallium Binding Sites List in 1nv4
Thallium binding site 3 out of 3 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (1 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, Edta and Thallium (1 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2345

b:18.2
occ:0.04
NH1 A:ARG1276 2.0 57.5 1.0
OE2 A:GLU1280 2.8 19.4 1.0
CZ A:ARG1276 2.9 54.1 1.0
C1 A:F6P2339 3.1 22.7 1.0
O1 A:F6P2339 3.2 12.1 0.5
OE1 A:GLU1280 3.3 18.6 1.0
CD A:GLU1280 3.5 25.0 1.0
O A:LYS1274 3.5 17.4 1.0
NH2 A:ARG1276 3.6 32.6 1.0
CD2 A:LEU1275 3.6 22.2 1.0
CA A:LEU1275 3.6 17.8 1.0
NE A:ARG1276 3.7 56.2 1.0
O1 A:F6P2339 3.8 25.3 0.5
CG A:LYS1274 3.8 21.5 1.0
O A:HOH3155 3.9 54.1 1.0
CE A:LYS1274 3.9 20.7 1.0
CD A:ARG1276 4.0 42.7 1.0
C A:LYS1274 4.0 14.8 1.0
N A:ARG1276 4.1 19.4 1.0
N A:LEU1275 4.1 15.0 1.0
CD A:LYS1274 4.2 16.5 1.0
C A:LEU1275 4.3 20.2 1.0
O3 A:PO42340 4.3 25.4 1.0
CB A:LEU1275 4.5 16.7 1.0
C2 A:F6P2339 4.5 18.7 1.0
CG A:LEU1275 4.6 16.1 1.0
O5 A:F6P2339 4.8 17.3 1.0
NH1 A:ARG1313 4.8 25.0 1.0
NZ A:LYS1274 4.8 21.3 1.0
CB A:LYS1274 4.9 14.7 1.0
CG A:GLU1280 5.0 11.0 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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