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Thallium in PDB 1nv3: Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 Mm)

Enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 Mm)

All present enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 Mm):
3.1.3.11;

Protein crystallography data

The structure of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 Mm), PDB code: 1nv3 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) 50.00 / 2.00
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 (%) 21 / 26.6

Other elements in 1nv3:

The structure of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 Mm) also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Thallium Binding Sites:

The binding sites of Thallium atom in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 Mm) (pdb code 1nv3). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 4 binding sites of Thallium where determined in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 Mm), PDB code: 1nv3:
Jump to Thallium binding site number: 1; 2; 3; 4;

Thallium binding site 1 out of 4 in 1nv3

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Thallium binding site 1 out of 4 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 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 (100 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2343

b:23.9
occ:0.30
 OE2 A:GLU1098 2.4 32.8 1.0
OE1 A:GLU1097 2.8 24.6 1.0
O4 A:PO42340 3.3 49.7 1.0
ND2 A:ASN1064 3.3 0.8 1.0
OD1 A:ASN1064 3.4 0.8 1.0
CD A:GLU1098 3.4 22.4 1.0
CG A:ASN1064 3.4 0.3 1.0
OE1 A:GLU1098 3.6 31.6 1.0
MG A:MG2341 3.6 22.6 1.0
OD2 A:ASP1068 3.7 0.4 1.0
CD A:GLU1097 3.8 23.2 1.0
OD2 A:ASP1074 3.9 47.8 1.0
CG A:ASP1074 4.2 35.2 1.0
CG A:GLU1097 4.3 20.4 1.0
OD1 A:ASP1074 4.3 35.2 1.0
P A:PO42340 4.4 31.8 1.0
CB A:ASP1068 4.4 0.4 1.0
CB A:ASN1064 4.4 0.2 1.0
O2 A:PO42340 4.5 31.7 1.0
OG A:SER1123 4.5 31.6 1.0
O A:GLN1069 4.5 99.7 1.0
CG A:ASP1068 4.5 0.8 1.0
O3 A:PO42340 4.7 34.2 1.0
CG A:GLU1098 4.7 18.2 1.0
OE2 A:GLU1097 4.8 31.3 1.0
TL A:TL2344 4.9 19.1 0.3

Thallium binding site 2 out of 4 in 1nv3

Go back to Thallium Binding Sites List in 1nv3
Thallium binding site 2 out of 4 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 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 (100 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2344

b:19.1
occ:0.33
 OD1 A:ASP1074 2.5 35.2 1.0
OG A:SER1123 2.6 31.6 1.0
O A:LEU1120 2.8 18.6 1.0
CG A:ASP1074 3.3 35.2 1.0
OD2 A:ASP1074 3.4 47.8 1.0
MG A:MG2341 3.4 22.6 1.0
O4 A:PO42340 3.5 49.7 1.0
CA A:SER1123 3.6 26.7 1.0
CB A:SER1123 3.6 27.0 1.0
N A:SER1123 3.7 25.2 1.0
C A:LEU1120 3.7 18.7 1.0
O2 A:PO42340 4.0 31.7 1.0
CB A:LEU1120 4.1 20.7 1.0
P A:PO42340 4.1 31.8 1.0
CG A:LEU1120 4.2 24.9 1.0
CD2 A:LEU1120 4.2 25.9 1.0
O1 A:PO42340 4.2 24.9 1.0
CD1 A:ILE1126 4.4 28.6 1.0
N A:GLY1122 4.5 18.2 1.0
CA A:LEU1120 4.5 22.2 1.0
CA A:ASP1121 4.5 23.2 1.0
N A:ASP1121 4.5 21.3 1.0
C A:GLY1122 4.6 24.3 1.0
C A:ASP1121 4.6 20.7 1.0
CB A:ASP1074 4.7 28.0 1.0
CG1 A:ILE1126 4.8 16.0 1.0
TL A:TL2343 4.9 23.9 0.3
C A:SER1123 5.0 21.2 1.0

Thallium binding site 3 out of 4 in 1nv3

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Thallium binding site 3 out of 4 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 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 (100 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2351

b:19.2
occ:0.30
 TL A:TL2352 2.5 20.0 0.1
OE2 A:GLU1097 2.7 31.3 1.0
O3 A:PO42340 2.7 34.2 1.0
CD A:GLU1097 3.3 23.2 1.0
OE1 A:GLU1280 3.4 28.3 1.0
NE A:ARG1276 3.5 31.8 1.0
OD2 A:ASP1068 3.9 0.4 1.0
CG A:ARG1276 3.9 13.8 1.0
OE1 A:GLU1097 3.9 24.6 1.0
CG A:GLU1097 3.9 20.4 1.0
O1 A:F6P2339 3.9 26.3 1.0
P A:PO42340 4.1 31.8 1.0
CD A:GLU1280 4.2 16.3 1.0
OE2 A:GLU1280 4.3 14.7 1.0
CD A:ARG1276 4.3 26.1 1.0
NH1 A:ARG1276 4.3 40.6 1.0
CZ A:ARG1276 4.4 37.5 1.0
O2 A:PO42340 4.6 31.7 1.0
O4 A:PO42340 4.6 49.7 1.0
CG A:ASP1068 4.7 0.8 1.0
C1 A:F6P2339 4.8 26.4 1.0

Thallium binding site 4 out of 4 in 1nv3

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Thallium binding site 4 out of 4 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate and Thallium (100 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 (100 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2352

b:20.0
occ:0.15
 TL A:TL2351 2.5 19.2 0.3
O1 A:F6P2339 2.7 26.3 1.0
OE2 A:GLU1280 2.8 14.7 1.0
OE1 A:GLU1280 3.1 28.3 1.0
CD A:GLU1280 3.3 16.3 1.0
C1 A:F6P2339 3.4 26.4 1.0
O3 A:PO42340 3.5 34.2 1.0
CG A:ARG1276 3.9 13.8 1.0
O A:LYS1274 4.0 17.1 1.0
CA A:LEU1275 4.1 21.9 1.0
NE A:ARG1276 4.1 31.8 1.0
CD2 A:LEU1275 4.1 18.7 1.0
CE A:LYS1274 4.2 19.4 1.0
CG A:LYS1274 4.2 18.3 1.0
OE2 A:GLU1097 4.2 31.3 1.0
N A:ARG1276 4.4 18.3 1.0
CD A:ARG1276 4.5 26.1 1.0
C A:LYS1274 4.5 17.4 1.0
N A:LEU1275 4.7 17.0 1.0
C A:LEU1275 4.7 22.1 1.0
NH1 A:ARG1313 4.7 36.3 1.0
C2 A:F6P2339 4.7 20.4 1.0
CD A:LYS1274 4.7 19.5 1.0
OD1 A:ASP1121 4.8 15.2 1.0
CG A:GLU1280 4.8 14.7 1.0
P A:PO42340 4.9 31.8 1.0
O5 A:F6P2339 5.0 18.8 1.0
CB A:LEU1275 5.0 22.4 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 09:25:34 2024

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