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Thallium in PDB 1nv6: Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (20 Mm)

Enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (20 Mm)

All present enzymatic activity of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta 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, Edta and Thallium (20 Mm), PDB code: 1nv6 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 / 2.15
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 (%) 21.8 / 28

Other elements in 1nv6:

The structure of Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta 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, Edta and Thallium (20 Mm) (pdb code 1nv6). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 5 binding sites of Thallium where determined in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta and Thallium (20 Mm), PDB code: 1nv6:
Jump to Thallium binding site number: 1; 2; 3; 4; 5;

Thallium binding site 1 out of 5 in 1nv6

Go back to Thallium Binding Sites List in 1nv6
Thallium binding site 1 out of 5 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta 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, Edta and Thallium (20 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2342

b:25.1
occ:0.06
 MG A:MG2343 0.8 28.5 0.6
OD2 A:ASP1118 1.7 24.9 1.0
O2 A:PI2340 1.8 41.0 1.0
OE1 A:GLU1097 2.1 30.5 1.0
O A:LEU1120 2.5 22.2 1.0
CD A:GLU1097 2.6 32.5 1.0
OE2 A:GLU1097 2.7 44.6 1.0
CG A:ASP1118 2.8 27.6 1.0
MG A:MG2341 3.1 21.8 0.8
P A:PI2340 3.1 33.1 1.0
OD1 A:ASP1118 3.3 23.4 1.0
C A:LEU1120 3.5 23.1 1.0
O3 A:PI2340 3.6 35.7 1.0
O4 A:PI2340 3.6 42.2 1.0
CA A:ASP1121 3.9 29.7 1.0
CG A:GLU1097 3.9 37.1 1.0
OE2 A:GLU1098 4.0 31.0 1.0
CB A:ASP1118 4.1 24.7 1.0
TL A:TL2344 4.1 26.9 0.1
N A:ASP1121 4.1 18.8 1.0
CB A:GLU1097 4.2 28.3 1.0
O1 A:PI2340 4.2 22.6 1.0
TL A:TL2345 4.2 28.4 0.2
N A:LEU1120 4.2 31.0 1.0
OD1 A:ASP1121 4.3 15.6 1.0
CA A:LEU1120 4.4 32.9 1.0
CB A:ASP1121 4.5 28.3 1.0
CA A:ASP1118 4.5 27.9 1.0
C A:ASP1118 4.6 11.2 1.0
OD1 A:ASP1074 4.7 49.7 1.0
CD A:PRO1119 4.8 17.1 1.0
N A:PRO1119 4.8 18.1 1.0
OE1 A:GLU1280 4.8 30.9 1.0
CG A:ASP1121 4.8 26.8 1.0

Thallium binding site 2 out of 5 in 1nv6

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Thallium binding site 2 out of 5 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta 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, Edta and Thallium (20 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2344

b:26.9
occ:0.13
 ND2 A:ASN1064 2.5 86.9 1.0
OE2 A:GLU1098 2.5 31.0 1.0
OE1 A:GLU1097 2.7 30.5 1.0
CG A:ASN1064 3.0 0.3 1.0
OD1 A:ASN1064 3.1 0.5 1.0
CD A:GLU1098 3.2 24.2 1.0
OE1 A:GLU1098 3.3 27.8 1.0
MG A:MG2343 3.7 28.5 0.6
CD A:GLU1097 3.7 32.5 1.0
OD2 A:ASP1074 3.7 43.9 1.0
OD2 A:ASP1068 3.8 62.0 1.0
O4 A:PI2340 3.8 42.2 1.0
CB A:ASP1068 4.0 61.6 1.0
CG A:ASP1074 4.1 36.9 1.0
TL A:TL2342 4.1 25.1 0.1
CG A:GLU1097 4.3 37.1 1.0
OD1 A:ASP1074 4.3 49.7 1.0
CB A:ASN1064 4.3 0.0 1.0
CG A:ASP1068 4.4 58.9 1.0
OE2 A:GLU1097 4.6 44.6 1.0
O2 A:PI2340 4.7 41.0 1.0
P A:PI2340 4.7 33.1 1.0
CG A:GLU1098 4.7 17.4 1.0
O3 A:PI2340 4.8 35.7 1.0
CB A:GLU1097 4.9 28.3 1.0
CB A:ASP1074 4.9 26.2 1.0
OG A:SER1123 5.0 36.5 1.0

Thallium binding site 3 out of 5 in 1nv6

Go back to Thallium Binding Sites List in 1nv6
Thallium binding site 3 out of 5 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta 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, Edta and Thallium (20 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2345

b:28.4
occ:0.21
 OD1 A:ASP1074 2.6 49.7 1.0
OG A:SER1123 2.7 36.5 1.0
O A:LEU1120 2.9 22.2 1.0
O4 A:PI2340 3.2 42.2 1.0
CA A:SER1123 3.4 27.9 1.0
CB A:SER1123 3.4 26.7 1.0
N A:SER1123 3.5 24.1 1.0
CG A:ASP1074 3.6 36.9 1.0
O2 A:PI2340 3.7 41.0 1.0
MG A:MG2343 3.7 28.5 0.6
C A:LEU1120 3.7 23.1 1.0
OD2 A:ASP1074 3.8 43.9 1.0
P A:PI2340 3.9 33.1 1.0
CB A:LEU1120 4.0 23.8 1.0
TL A:TL2342 4.2 25.1 0.1
O1 A:PI2340 4.2 22.6 1.0
CG A:LEU1120 4.3 27.4 1.0
N A:GLY1122 4.4 30.7 1.0
C A:GLY1122 4.4 20.8 1.0
CA A:ASP1121 4.5 29.7 1.0
N A:ASP1121 4.5 18.8 1.0
CA A:LEU1120 4.5 32.9 1.0
CD2 A:LEU1120 4.5 37.0 1.0
C A:ASP1121 4.5 35.9 1.0
C A:SER1123 4.8 28.3 1.0
CG1 A:ILE1126 4.8 31.3 1.0
CG A:LYS1071 5.0 47.4 1.0
CB A:ASP1074 5.0 26.2 1.0

Thallium binding site 4 out of 5 in 1nv6

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Thallium binding site 4 out of 5 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta 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, Edta and Thallium (20 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2351

b:29.2
occ:0.26
 TL A:TL2352 2.5 29.3 0.1
O3 A:PI2340 2.8 35.7 1.0
OE2 A:GLU1097 2.9 44.6 1.0
O A:HOH3060 3.3 27.1 1.0
CD A:GLU1097 3.4 32.5 1.0
OD2 A:ASP1068 3.6 62.0 1.0
NE A:ARG1276 3.7 38.8 1.0
OE1 A:GLU1280 3.9 30.9 1.0
CG A:GLU1097 3.9 37.1 1.0
O1 A:F6P2339 4.0 31.2 1.0
OE1 A:GLU1097 4.0 30.5 1.0
CG A:ARG1276 4.0 14.5 1.0
CG A:ASP1068 4.1 58.9 1.0
MG A:MG2341 4.1 21.8 0.8
P A:PI2340 4.2 33.1 1.0
OD1 A:ASP1068 4.3 71.6 1.0
NH1 A:ARG1276 4.4 50.3 1.0
CD A:ARG1276 4.4 28.5 1.0
OE2 A:GLU1280 4.5 34.2 1.0
CD A:GLU1280 4.5 23.3 1.0
CZ A:ARG1276 4.5 42.0 1.0
C1 A:F6P2339 4.7 26.8 1.0
O4 A:PI2340 4.7 42.2 1.0
O2 A:PI2340 4.8 41.0 1.0
ND2 A:ASN1064 4.9 86.9 1.0

Thallium binding site 5 out of 5 in 1nv6

Go back to Thallium Binding Sites List in 1nv6
Thallium binding site 5 out of 5 in the Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6- Phosphate, Phosphate, Edta 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, Edta and Thallium (20 Mm) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl2352

b:29.3
occ:0.15
 TL A:TL2351 2.5 29.2 0.3
O1 A:F6P2339 3.1 31.2 1.0
OE2 A:GLU1280 3.1 34.2 1.0
C1 A:F6P2339 3.3 26.8 1.0
OE1 A:GLU1280 3.4 30.9 1.0
O A:HOH3060 3.4 27.1 1.0
CD A:GLU1280 3.7 23.3 1.0
O3 A:PI2340 3.7 35.7 1.0
O A:LYS1274 3.7 24.8 1.0
CE A:LYS1274 3.8 26.3 1.0
CG A:ARG1276 4.0 14.5 1.0
CA A:LEU1275 4.1 26.1 1.0
CD2 A:LEU1275 4.2 16.0 1.0
CG A:LYS1274 4.2 21.6 1.0
NE A:ARG1276 4.2 38.8 1.0
CD A:ARG1276 4.3 28.5 1.0
C A:LYS1274 4.4 18.7 1.0
CD A:LYS1274 4.4 21.5 1.0
N A:ARG1276 4.4 28.4 1.0
MG A:MG2341 4.5 21.8 0.8
OE2 A:GLU1097 4.5 44.6 1.0
N A:LEU1275 4.6 24.1 1.0
NH1 A:ARG1313 4.6 38.8 1.0
C A:LEU1275 4.7 27.4 1.0
C2 A:F6P2339 4.8 32.6 1.0
CB A:LEU1275 5.0 18.6 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 09:28:26 2024

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