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Sodium in PDB 4dwg: Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+
Enzymatic activity of Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+
All present enzymatic activity of Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+:
2.5.1.10;
2.5.1.10;
Protein crystallography data
The structure of Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+, PDB code: 4dwg
was solved by
S.Aripirala,
L.M.Amzel,
S.B.Gabelli,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 39.89 / 2.01 |
| Space group | P 61 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 58.173, 58.173, 391.822, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 20.2 / 26.6 |
Other elements in 4dwg:
The structure of Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+ also contains other interesting chemical elements:
| Magnesium | (Mg) | 3 atoms |
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+
(pdb code 4dwg). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+, PDB code: 4dwg:
Jump to Sodium binding site number: 1; 2;
In total 2 binding sites of Sodium where determined in the Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+, PDB code: 4dwg:
Jump to Sodium binding site number: 1; 2;
Sodium binding site 1 out of 2 in 4dwg
Go back to
Sodium Binding Sites List in 4dwg
Sodium binding site 1 out
of 2 in the Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+ within 5.0Å range:
|
Sodium binding site 2 out of 2 in 4dwg
Go back to
Sodium Binding Sites List in 4dwg
Sodium binding site 2 out
of 2 in the Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of Trypanosome Cruzi Farnesyl Diphosphate Synthase in Complex with [2-(N-Heptylamino)Ethane-1,1-Diyl]Bisphosphonic Acid and MG2+ within 5.0Å range:
|
Reference:
S.Aripirala,
S.H.Szajnman,
J.Jakoncic,
J.B.Rodriguez,
R.Docampo,
S.B.Gabelli,
L.M.Amzel.
Design, Synthesis, Calorimetry, and Crystallographic Analysis of 2-Alkylaminoethyl-1,1-Bisphosphonates As Inhibitors of Trypanosoma Cruzi Farnesyl Diphosphate Synthase. J.Med.Chem. V. 55 6445 2012.
ISSN: ISSN 0022-2623
PubMed: 22715997
DOI: 10.1021/JM300425Y
Page generated: Mon Oct 7 15:01:13 2024
ISSN: ISSN 0022-2623
PubMed: 22715997
DOI: 10.1021/JM300425Y
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