Atomistry » Fluorine » PDB 5dz3-5ese » 5eau
Atomistry »
  Fluorine »
    PDB 5dz3-5ese »
      5eau »

Fluorine in PDB 5eau: 5-Epi-Aristolochene Synthase From Nicotiana Tabacum

Protein crystallography data

The structure of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum, PDB code: 5eau was solved by C.M.Starks, K.Back, J.Chappell, J.P.Noel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.00 / 2.15
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 125.960, 125.960, 122.970, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / 28.7

Other elements in 5eau:

The structure of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum (pdb code 5eau). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum, PDB code: 5eau:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5eau

Go back to Fluorine Binding Sites List in 5eau
Fluorine binding site 1 out of 3 in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F800

b:42.9
occ:0.48
F1 A:FFF800 0.0 42.9 0.5
C14 A:FFF800 1.3 41.6 0.5
F3 A:FFF800 2.1 44.1 0.5
F2 A:FFF800 2.1 48.9 0.5
C3 A:FFF800 2.3 42.3 0.5
C4 A:FFF800 2.7 38.8 0.5
C5 A:FFF800 3.1 31.9 0.5
CG2 A:ILE297 3.2 30.9 1.0
C2 A:FFF800 3.6 41.7 0.5
O A:ILE297 3.8 45.2 1.0
CA A:SER298 3.8 51.1 1.0
C A:ILE297 3.8 43.8 1.0
N A:SER298 3.8 45.3 1.0
CG2 A:THR403 4.1 36.0 1.0
O A:ILE294 4.1 33.0 1.0
C1 A:FFF800 4.2 39.1 0.5
CB A:ILE297 4.2 37.9 1.0
CG1 A:ILE297 4.3 34.6 1.0
CB A:SER298 4.4 50.7 1.0
OH A:TYR376 4.4 37.5 1.0
OG1 A:THR403 4.6 32.6 1.0
C6 A:FFF800 4.7 28.9 0.5
CA A:ILE297 4.7 40.5 1.0
CB A:THR403 4.8 38.0 1.0
CB A:ASP301 4.9 37.9 1.0
OG A:SER298 4.9 62.6 1.0

Fluorine binding site 2 out of 3 in 5eau

Go back to Fluorine Binding Sites List in 5eau
Fluorine binding site 2 out of 3 in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F800

b:48.9
occ:0.48
F2 A:FFF800 0.0 48.9 0.5
C14 A:FFF800 1.3 41.6 0.5
F1 A:FFF800 2.1 42.9 0.5
F3 A:FFF800 2.2 44.1 0.5
C3 A:FFF800 2.3 42.3 0.5
C1 A:FFF800 2.9 39.1 0.5
C2 A:FFF800 2.9 41.7 0.5
CA A:SER298 3.2 51.1 1.0
C4 A:FFF800 3.4 38.8 0.5
CB A:ASP301 3.5 37.9 1.0
O A:ILE297 3.8 45.2 1.0
OG A:SER298 3.8 62.6 1.0
CB A:SER298 3.8 50.7 1.0
CG A:ASP301 3.9 46.9 1.0
N A:SER298 4.0 45.3 1.0
OD2 A:ASP301 4.0 48.5 1.0
O A:SER298 4.1 49.2 1.0
C A:SER298 4.2 51.0 1.0
O5A A:FFF800 4.2 41.6 0.5
C A:ILE297 4.2 43.8 1.0
C5 A:FFF800 4.5 31.9 0.5
OD1 A:ASP301 4.6 46.7 1.0
OH A:TYR376 4.6 37.5 1.0
O1A A:FFF800 4.8 42.5 0.5
CG2 A:ILE297 4.9 30.9 1.0
CA A:ASP301 4.9 40.2 1.0

Fluorine binding site 3 out of 3 in 5eau

Go back to Fluorine Binding Sites List in 5eau
Fluorine binding site 3 out of 3 in the 5-Epi-Aristolochene Synthase From Nicotiana Tabacum


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of 5-Epi-Aristolochene Synthase From Nicotiana Tabacum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F800

b:44.1
occ:0.48
F3 A:FFF800 0.0 44.1 0.5
C14 A:FFF800 1.3 41.6 0.5
F1 A:FFF800 2.1 42.9 0.5
F2 A:FFF800 2.2 48.9 0.5
C3 A:FFF800 2.3 42.3 0.5
C2 A:FFF800 2.9 41.7 0.5
C1 A:FFF800 2.9 39.1 0.5
C4 A:FFF800 3.5 38.8 0.5
O A:HOH637 3.7 74.6 1.0
OH A:TYR376 3.7 37.5 1.0
CG2 A:THR403 3.8 36.0 1.0
C5 A:FFF800 3.9 31.9 0.5
O5A A:FFF800 4.3 41.6 0.5
CB A:ASP301 4.3 37.9 1.0
CG A:ASP301 4.3 46.9 1.0
OD1 A:ASP301 4.4 46.7 1.0
C13 A:FFF800 4.5 24.1 0.5
O3A A:FFF800 4.7 36.8 0.5
OG1 A:THR403 4.7 32.6 1.0
O A:ILE297 4.8 45.2 1.0
OD2 A:ASP301 4.8 48.5 1.0
CB A:THR403 4.9 38.0 1.0

Reference:

C.M.Starks, K.Back, J.Chappell, J.P.Noel. Structural Basis For Cyclic Terpene Biosynthesis By Tobacco 5-Epi-Aristolochene Synthase. Science V. 277 1815 1997.
ISSN: ISSN 0036-8075
PubMed: 9295271
DOI: 10.1126/SCIENCE.277.5333.1815
Page generated: Sun Dec 13 12:21:27 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy