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Fluorine in PDB 3fu0: Leukotriene A4 Hydrolase in Complex with Fragment 4-(4- Fluorobenzoyl)Pyridine

Enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment 4-(4- Fluorobenzoyl)Pyridine

All present enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment 4-(4- Fluorobenzoyl)Pyridine:
3.3.2.6;

Protein crystallography data

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 4-(4- Fluorobenzoyl)Pyridine, PDB code: 3fu0 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 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.284, 87.067, 99.469, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 22.1

Other elements in 3fu0:

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 4-(4- Fluorobenzoyl)Pyridine also contains other interesting chemical elements:

Ytterbium (Yb) 2 atoms
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Leukotriene A4 Hydrolase in Complex with Fragment 4-(4- Fluorobenzoyl)Pyridine (pdb code 3fu0). 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 4-(4- Fluorobenzoyl)Pyridine, PDB code: 3fu0:

Fluorine binding site 1 out of 1 in 3fu0

Go back to Fluorine Binding Sites List in 3fu0
Fluorine binding site 1 out of 1 in the Leukotriene A4 Hydrolase in Complex with Fragment 4-(4- Fluorobenzoyl)Pyridine


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 4-(4- Fluorobenzoyl)Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F710

b:54.7
occ:1.00
 F15 A:22F710 0.0 54.7 1.0
C12 A:22F710 1.3 55.6 1.0
C13 A:22F710 2.3 56.3 1.0
C11 A:22F710 2.4 55.9 1.0
C14 A:22F710 3.6 57.6 1.0
N A:ALA137 3.6 11.3 1.0
O A:GLN136 3.7 12.1 1.0
C A:GLN136 3.7 12.3 1.0
C10 A:22F710 3.7 56.6 1.0
OH A:TYR267 3.7 22.3 1.0
CG A:GLN136 3.8 13.7 1.0
OE1 A:GLN136 3.9 20.7 1.0
CB A:GLN136 4.1 12.1 1.0
CD A:GLN136 4.1 18.2 1.0
C9 A:22F710 4.2 57.6 1.0
O A:HOH1057 4.3 18.9 1.0
CD1 A:TYR378 4.3 15.0 1.0
CZ A:TYR267 4.3 19.9 1.0
CA A:ALA137 4.4 9.8 1.0
CB A:ALA137 4.5 9.8 1.0
CA A:GLN136 4.5 12.3 1.0
CE1 A:TYR378 4.5 15.8 1.0
OD1 A:ASP375 4.6 24.9 1.0
CE1 A:TYR267 4.6 22.6 1.0
O A:HOH1112 4.8 38.6 1.0
CZ A:PHE314 4.9 10.6 1.0
CG A:TYR378 5.0 14.6 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: Wed Jul 31 18:41:14 2024

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