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Fluorine in PDB 3fuf: Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin

Enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin

All present enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin:
3.3.2.6;

Protein crystallography data

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin, PDB code: 3fuf was solved by D.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.497, 87.075, 99.573, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 25.1

Other elements in 3fuf:

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin also contains other interesting chemical elements:

Ytterbium (Yb) 3 atoms
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin (pdb code 3fuf). 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 Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin, PDB code: 3fuf:

Fluorine binding site 1 out of 1 in 3fuf

Go back to Fluorine Binding Sites List in 3fuf
Fluorine binding site 1 out of 1 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F710

b:39.3
occ:1.00
F10 A:14O710 0.0 39.3 1.0
C3 A:14O710 1.3 39.5 1.0
C2 A:14O710 2.3 41.7 1.0
C4 A:14O710 2.4 40.0 1.0
CB A:PRO374 3.1 12.4 1.0
O A:PRO374 3.4 11.6 1.0
C1 A:14O710 3.6 41.5 1.0
C5 A:14O710 3.7 41.1 1.0
CA A:PRO374 3.7 12.4 1.0
C A:PRO374 3.8 11.9 1.0
C6 A:14O710 4.1 40.9 1.0
CG A:PRO374 4.5 13.2 1.0
CD2 A:PHE314 4.6 11.7 1.0
CB A:ALA137 4.7 5.4 1.0
CE2 A:PHE314 4.8 8.6 1.0
N A:TYR378 4.8 9.5 1.0
N A:ASP375 4.9 11.5 1.0
CG A:PHE314 4.9 9.8 1.0
CD1 A:TYR378 4.9 8.6 1.0
C9 A:14O710 4.9 41.6 1.0
CB A:TRP311 5.0 9.5 1.0
CB A:TYR378 5.0 10.8 1.0
CD1 A:LEU369 5.0 14.0 1.0

Reference:

D.R.Davies, B.Mamat, O.T.Magnusson, J.Christensen, M.H.Haraldsson, R.Mishra, B.Pease, E.Hansen, J.Singh, D.Zembower, H.Kim, A.S.Kiselyov, A.B.Burgin, M.E.Gurney, L.J.Stewart. Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography. J.Med.Chem. V. 52 4694 2009.
ISSN: ISSN 0022-2623
PubMed: 19618939
DOI: 10.1021/JM900259H
Page generated: Sun Dec 13 11:46:25 2020

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