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Fluorine in PDB 3icn: Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer in Complex with Isopentenyl Pyrophosphate and 3-Fluoro-1-(2-Hydroxy-2,2-Bis- Phosphono-Ethyl)-Pyridinium

Enzymatic activity of Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer in Complex with Isopentenyl Pyrophosphate and 3-Fluoro-1-(2-Hydroxy-2,2-Bis- Phosphono-Ethyl)-Pyridinium

All present enzymatic activity of Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer in Complex with Isopentenyl Pyrophosphate and 3-Fluoro-1-(2-Hydroxy-2,2-Bis- Phosphono-Ethyl)-Pyridinium:
2.5.1.10;

Protein crystallography data

The structure of Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer in Complex with Isopentenyl Pyrophosphate and 3-Fluoro-1-(2-Hydroxy-2,2-Bis- Phosphono-Ethyl)-Pyridinium, PDB code: 3icn was solved by L.M.Amzel, C.H.Huang, S.B.Gabelli, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.97 / 2.40
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 57.976, 57.976, 389.756, 90.00, 90.00, 120.00
R / Rfree (%) 17.5 / 24.3

Other elements in 3icn:

The structure of Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer in Complex with Isopentenyl Pyrophosphate and 3-Fluoro-1-(2-Hydroxy-2,2-Bis- Phosphono-Ethyl)-Pyridinium also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer in Complex with Isopentenyl Pyrophosphate and 3-Fluoro-1-(2-Hydroxy-2,2-Bis- Phosphono-Ethyl)-Pyridinium (pdb code 3icn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer in Complex with Isopentenyl Pyrophosphate and 3-Fluoro-1-(2-Hydroxy-2,2-Bis- Phosphono-Ethyl)-Pyridinium, PDB code: 3icn:

Fluorine binding site 1 out of 1 in 3icn

Go back to Fluorine Binding Sites List in 3icn
Fluorine binding site 1 out of 1 in the Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer in Complex with Isopentenyl Pyrophosphate and 3-Fluoro-1-(2-Hydroxy-2,2-Bis- Phosphono-Ethyl)-Pyridinium


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer in Complex with Isopentenyl Pyrophosphate and 3-Fluoro-1-(2-Hydroxy-2,2-Bis- Phosphono-Ethyl)-Pyridinium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F363

b:28.8
occ:1.00
 F A:NI9363 0.0 28.8 1.0
C7 A:NI9363 1.4 30.3 1.0
C3 A:NI9363 2.4 30.6 1.0
C4 A:NI9363 2.4 27.3 1.0
NE2 A:GLN167 2.9 22.2 1.0
CD A:GLN167 2.9 25.7 1.0
OE1 A:GLN167 3.2 28.7 1.0
O A:HOH389 3.5 30.7 1.0
CG A:GLN167 3.5 26.9 1.0
CB A:TYR94 3.5 25.6 1.0
N A:NI9363 3.6 29.2 1.0
C6 A:NI9363 3.6 27.6 1.0
CD2 A:TYR94 3.9 25.2 1.0
CG A:TYR94 4.0 25.8 1.0
O A:TYR94 4.1 26.1 1.0
CB A:ASP98 4.1 26.7 1.0
C5 A:NI9363 4.1 26.9 1.0
O A:HOH567 4.3 34.5 1.0
C A:TYR94 4.3 25.3 1.0
OD1 A:ASP98 4.4 21.0 1.0
CG A:ASP98 4.4 27.0 1.0
CA A:TYR94 4.4 25.2 1.0
CG2 A:THR163 4.4 19.7 1.0
C2 A:NI9363 4.7 28.2 1.0
O A:LYS207 4.8 21.9 1.0
CE2 A:TYR94 4.9 24.7 1.0
CB A:GLN167 5.0 26.1 1.0
CE2 A:TYR211 5.0 28.6 1.0

Reference:

C.H.Huang, S.B.Gabelli, E.Oldfield, L.M.Amzel. Binding of Nitrogen-Containing Bisphosphonates (N-Bps) to the Trypanosoma Cruzi Farnesyl Diphosphate Synthase Homodimer. Proteins V. 78 888 2010.
ISSN: ISSN 0887-3585
PubMed: 19876942
DOI: 10.1002/PROT.22614
Page generated: Wed Jul 31 19:28:19 2024

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