Fluorine in PDB 7auz: LTA4 Hydrolase in Complex with Compound LYS006

All present enzymatic activity of LTA4 Hydrolase in Complex with Compound LYS006:
3.3.2.6;

The structure of LTA4 Hydrolase in Complex with Compound LYS006, PDB code: 7auz was solved by H.Srinivas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.92 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.189, 86.7, 98.962, 90, 90, 90
R / Rfree (%)	17.1 / 20.6

The structure of LTA4 Hydrolase in Complex with Compound LYS006 also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the LTA4 Hydrolase in Complex with Compound LYS006 (pdb code 7auz). 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 LTA4 Hydrolase in Complex with Compound LYS006, PDB code: 7auz:

Fluorine binding site 1 out of 1 in the LTA4 Hydrolase in Complex with Compound LYS006


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of LTA4 Hydrolase in Complex with Compound LYS006 within 5.0Å range: probe atom residue distance (Å) B Occ A:F708 b:28.0 occ:1.00 F27 A:RZE708 0.0 28.0 1.0 C21 A:RZE708 1.3 22.9 1.0 C22 A:RZE708 2.3 22.9 1.0 C20 A:RZE708 2.3 21.3 1.0 O19 A:RZE708 2.7 20.9 1.0 CB A:TRP311 3.0 16.7 1.0 CD1 A:LEU369 3.3 29.9 1.0 N25 A:RZE708 3.5 21.1 1.0 C23 A:RZE708 3.5 21.7 1.0 O A:TRP311 3.6 20.2 1.0 CG A:TRP311 3.6 17.4 1.0 CB A:PRO374 3.7 19.5 1.0 C1 A:RZE708 3.7 17.2 1.0 CE3 A:TRP311 3.8 18.1 1.0 CD2 A:TRP311 3.9 17.0 1.0 C24 A:RZE708 4.0 21.4 1.0 CA A:TRP311 4.0 18.2 1.0 C6 A:RZE708 4.0 17.4 1.0 C A:TRP311 4.1 21.8 1.0 CA A:PRO374 4.4 17.7 1.0 CG A:PRO374 4.4 23.6 1.0 CB A:PHE314 4.5 17.6 1.0 CB A:ALA137 4.6 16.0 1.0 CG A:LEU369 4.7 29.4 1.0 CG A:PHE314 4.7 19.0 1.0 CD1 A:TRP311 4.8 20.3 1.0 CD2 A:LEU369 4.8 32.7 1.0 O A:PRO374 4.9 18.1 1.0 C2 A:RZE708 4.9 18.2 1.0 CZ3 A:TRP311 4.9 19.0 1.0 CL1 A:RZE708 4.9 25.9 1.0 CD2 A:PHE314 5.0 20.5 1.0

C.Markert, G.Thoma, H.Srinivas, B.Bollbuck, R.M.Luond, W.Miltz, R.Wal̈Chli, R.Wolf, J.Hinrichs, C.Bergsdorf, K.Azzaoui, C.A.Penno, K.Klein, N.Wack, P.Jag̈Er, F.Hasler, C.Beerli, P.Loetscher, J.Dawson, G.Wieczorek, S.Numao, A.Littlewood-Evans, T.A.Rohn. Discovery of LYS006, A Potent and Highly Selective Inhibitor of Leukotriene A4 Hydrolase. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623