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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:

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 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 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 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 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 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 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 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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