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Thallium in PDB 1nv5: Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 Mm)

Enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 Mm)

All present enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 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 (5 Mm), PDB code: 1nv5 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 (%) 19.7 / 24.5

Other elements in 1nv5:

The structure of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 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 (5 Mm) (pdb code 1nv5). 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, Edta and Thallium (5 Mm), PDB code: 1nv5:
Jump to Thallium binding site number: 1; 2; 3; 4; 5; 6;

Thallium binding site 1 out of 6 in 1nv5

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Thallium binding site 1 out of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 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 (5 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2342

b:23.5
occ:0.06
 MG A:MG2341 0.6 22.8 0.9
OD1 A:ASP1121 1.6 14.9 1.0
OD1 A:ASP1118 2.2 22.8 1.0
CG A:ASP1121 2.4 22.0 1.0
O2 A:PO42340 2.4 26.7 1.0
OE1 A:GLU1280 2.4 21.5 1.0
CB A:ASP1121 2.7 18.4 1.0
O1 A:F6P2339 2.8 14.2 0.5
CA A:ASP1121 3.2 21.0 1.0
CG A:ASP1118 3.4 22.5 1.0
CD A:GLU1280 3.5 27.3 1.0
OD2 A:ASP1121 3.6 18.3 1.0
P A:PO42340 3.6 24.8 1.0
O3 A:F6P2339 3.7 19.6 1.0
O1 A:PO42340 3.8 14.7 1.0
CG A:GLU1280 3.9 13.9 1.0
C1 A:F6P2339 3.9 19.5 1.0
TL A:TL2344 3.9 8.3 0.1
OD2 A:ASP1118 3.9 16.6 1.0
N A:GLY1122 4.0 18.8 1.0
C A:ASP1121 4.0 24.2 1.0
CD1 A:ILE1135 4.1 25.8 1.0
O3 A:PO42340 4.1 28.3 1.0
C3 A:F6P2339 4.3 25.7 1.0
N A:ASP1121 4.4 10.9 1.0
CB A:ASP1118 4.5 15.7 1.0
C2 A:F6P2339 4.5 28.3 1.0
OE2 A:GLU1280 4.6 19.3 1.0
O A:LEU1120 4.7 15.6 1.0
OE2 A:GLU1097 4.7 20.1 1.0
O2 A:F6P2339 4.7 21.3 1.0
MG A:MG2343 4.7 28.6 0.7
O4 A:PO42340 4.8 40.8 1.0
O1 A:F6P2339 4.8 8.3 0.5
C A:LEU1120 4.9 10.8 1.0

Thallium binding site 2 out of 6 in 1nv5

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Thallium binding site 2 out of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 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 (5 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2344

b:8.3
occ:0.06
 MG A:MG2343 0.8 28.6 0.7
OD2 A:ASP1118 1.9 16.6 1.0
OE2 A:GLU1097 2.0 20.1 1.0
O2 A:PO42340 2.0 26.7 1.0
O A:LEU1120 2.2 15.6 1.0
O4 A:PO42340 2.4 40.8 1.0
P A:PO42340 2.7 24.8 1.0
CG A:ASP1118 2.8 22.5 1.0
CD A:GLU1097 3.1 21.7 1.0
OD1 A:ASP1118 3.2 22.8 1.0
C A:LEU1120 3.2 10.8 1.0
OE1 A:GLU1097 3.5 28.2 1.0
MG A:MG2341 3.6 22.8 0.9
O3 A:PO42340 3.7 28.3 1.0
CA A:ASP1121 3.8 21.0 1.0
O1 A:PO42340 3.9 14.7 1.0
N A:ASP1121 3.9 10.9 1.0
TL A:TL2342 3.9 23.5 0.1
TL A:TL2346 3.9 24.2 0.1
N A:LEU1120 4.1 13.5 1.0
TL A:TL2345 4.2 26.9 0.1
CB A:ASP1118 4.2 15.7 1.0
CA A:LEU1120 4.3 21.5 1.0
OE2 A:GLU1098 4.4 23.2 1.0
CG A:GLU1097 4.4 17.1 1.0
OD1 A:ASP1074 4.4 31.5 1.0
CB A:ASP1121 4.5 18.4 1.0
CB A:GLU1097 4.6 14.6 1.0
CA A:ASP1118 4.7 15.5 1.0
O1 A:F6P2339 4.7 14.2 0.5
C A:ASP1118 4.7 13.3 1.0
CD A:PRO1119 4.8 13.2 1.0
C A:ASP1121 4.9 24.2 1.0
N A:PRO1119 4.9 17.8 1.0
CB A:LEU1120 4.9 21.5 1.0
OE1 A:GLU1280 5.0 21.5 1.0
N A:GLY1122 5.0 18.8 1.0

Thallium binding site 3 out of 6 in 1nv5

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Thallium binding site 3 out of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 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 (5 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2345

b:26.9
occ:0.08
 OE2 A:GLU1098 2.4 23.2 1.0
OE1 A:GLU1097 2.7 28.2 1.0
ND2 A:ASN1064 2.9 48.8 1.0
CD A:GLU1097 3.3 21.7 1.0
O4 A:PO42340 3.3 40.8 1.0
CD A:GLU1098 3.4 27.0 1.0
OE1 A:GLU1098 3.6 28.6 1.0
OD2 A:ASP1068 3.7 56.4 1.0
CG A:ASN1064 3.7 63.7 1.0
OE2 A:GLU1097 3.7 20.1 1.0
OD2 A:ASP1074 3.7 33.2 1.0
MG A:MG2343 3.7 28.6 0.7
CG A:ASP1068 3.8 64.5 1.0
OD1 A:ASN1064 3.9 79.1 1.0
CG A:ASP1074 4.0 30.3 1.0
OD1 A:ASP1068 4.0 78.3 1.0
CG A:GLU1097 4.1 17.1 1.0
OD1 A:ASP1074 4.2 31.5 1.0
TL A:TL2344 4.2 8.3 0.1
P A:PO42340 4.4 24.8 1.0
O3 A:PO42340 4.5 28.3 1.0
CB A:ASP1068 4.5 68.7 1.0
TL A:TL2346 4.7 24.2 0.1
CG A:GLU1098 4.8 19.2 1.0
CB A:ASN1064 4.8 61.0 1.0
CB A:ASP1074 4.9 26.8 1.0
CG2 A:VAL1070 4.9 61.8 1.0

Thallium binding site 4 out of 6 in 1nv5

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Thallium binding site 4 out of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 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, Edta and Thallium (5 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2346

b:24.2
occ:0.10
 OD1 A:ASP1074 2.6 31.5 1.0
O4 A:PO42340 2.8 40.8 1.0
O A:LEU1120 2.9 15.6 1.0
CB A:SER1123 3.0 18.4 1.0
CA A:SER1123 3.2 21.7 1.0
OG A:SER1123 3.4 40.3 1.0
CG A:ASP1074 3.5 30.3 1.0
N A:SER1123 3.5 20.6 1.0
OD2 A:ASP1074 3.6 33.2 1.0
MG A:MG2343 3.7 28.6 0.7
C A:LEU1120 3.8 10.8 1.0
P A:PO42340 3.8 24.8 1.0
O1 A:PO42340 3.9 14.7 1.0
TL A:TL2344 3.9 8.3 0.1
CB A:LEU1120 3.9 21.5 1.0
CG A:LEU1120 4.1 18.6 1.0
CD2 A:LEU1120 4.2 30.4 1.0
C A:GLY1122 4.4 15.4 1.0
N A:GLY1122 4.5 18.8 1.0
O2 A:PO42340 4.5 26.7 1.0
CA A:LEU1120 4.5 21.5 1.0
N A:ASP1121 4.6 10.9 1.0
C A:ASP1121 4.7 24.2 1.0
C A:SER1123 4.7 22.4 1.0
CA A:ASP1121 4.7 21.0 1.0
TL A:TL2345 4.7 26.9 0.1
CG1 A:ILE1126 4.7 18.1 1.0
CB A:ASP1074 4.9 26.8 1.0
CG A:LYS1071 4.9 35.0 1.0

Thallium binding site 5 out of 6 in 1nv5

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Thallium binding site 5 out of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 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, Edta and Thallium (5 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2347

b:29.1
occ:0.11
 TL A:TL2348 2.5 29.2 0.1
OE1 A:GLU1097 2.9 28.2 1.0
O3 A:PO42340 3.2 28.3 1.0
CD A:GLU1097 3.5 21.7 1.0
NE A:ARG1276 3.5 42.9 1.0
CG A:ARG1276 3.7 29.6 1.0
OD2 A:ASP1068 3.8 56.4 1.0
O1 A:F6P2339 3.9 8.3 0.5
CG A:GLU1097 4.0 17.1 1.0
OE1 A:GLU1280 4.0 21.5 1.0
OE2 A:GLU1280 4.0 19.3 1.0
OE2 A:GLU1097 4.1 20.1 1.0
CD A:ARG1276 4.3 37.7 1.0
CD A:GLU1280 4.3 27.3 1.0
O1 A:F6P2339 4.4 14.2 0.5
NH1 A:ARG1276 4.4 30.4 1.0
CZ A:ARG1276 4.4 40.8 1.0
P A:PO42340 4.5 24.8 1.0
O2 A:PO42340 4.6 26.7 1.0
C1 A:F6P2339 4.6 19.5 1.0
CG A:ASP1068 5.0 64.5 1.0
CE1 A:TYR1279 5.0 17.0 1.0

Thallium binding site 6 out of 6 in 1nv5

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Thallium binding site 6 out of 6 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (5 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, Edta and Thallium (5 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2348

b:29.2
occ:0.10
 TL A:TL2347 2.5 29.1 0.1
OE2 A:GLU1280 2.7 19.3 1.0
O1 A:F6P2339 3.1 8.3 0.5
OE1 A:GLU1280 3.3 21.5 1.0
C1 A:F6P2339 3.3 19.5 1.0
CD A:GLU1280 3.4 27.3 1.0
O A:LYS1274 3.7 20.1 1.0
O1 A:F6P2339 3.8 14.2 0.5
CG A:ARG1276 3.8 29.6 1.0
CA A:LEU1275 3.9 18.0 1.0
O3 A:PO42340 4.0 28.3 1.0
CD2 A:LEU1275 4.1 19.6 1.0
CE A:LYS1274 4.1 23.6 1.0
N A:ARG1276 4.1 20.2 1.0
NE A:ARG1276 4.2 42.9 1.0
CG A:LYS1274 4.2 20.7 1.0
C A:LYS1274 4.3 12.5 1.0
C A:LEU1275 4.4 24.4 1.0
N A:LEU1275 4.5 14.9 1.0
CD A:ARG1276 4.5 37.7 1.0
CD A:LYS1274 4.6 14.6 1.0
CB A:LEU1275 4.7 18.1 1.0
C2 A:F6P2339 4.8 28.3 1.0
NH1 A:ARG1313 4.8 23.3 1.0
MG A:MG2341 4.8 22.8 0.9
CB A:ARG1276 4.9 16.3 1.0
CG A:GLU1280 4.9 13.9 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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