Fluorine in PDB 3i28: Crystal Structure of Soluble Epoxide Hydrolase

All present enzymatic activity of Crystal Structure of Soluble Epoxide Hydrolase:
3.3.2.10;

The structure of Crystal Structure of Soluble Epoxide Hydrolase, PDB code: 3i28 was solved by N.A.Farrow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.25 / 1.95
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.410, 92.410, 243.983, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 25.5

The binding sites of Fluorine atom in the Crystal Structure of Soluble Epoxide Hydrolase (pdb code 3i28). 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 Crystal Structure of Soluble Epoxide Hydrolase, PDB code: 3i28:

Fluorine binding site 1 out of 1 in the Crystal Structure of Soluble Epoxide Hydrolase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Soluble Epoxide Hydrolase within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:35.6 occ:1.00 F29 A:34N999 0.0 35.6 1.0 C28 A:34N999 1.4 40.1 1.0 C30 A:34N999 2.4 33.7 1.0 C27 A:34N999 2.4 36.3 1.0 CZ A:PHE387 3.4 40.5 1.0 C31 A:34N999 3.6 33.7 1.0 C26 A:34N999 3.6 35.6 1.0 CD2 A:LEU408 3.8 36.5 1.0 CD1 A:LEU428 4.0 53.0 1.0 CG A:LEU428 4.0 58.2 1.0 CE1 A:PHE267 4.0 30.8 1.0 C25 A:34N999 4.1 39.2 1.0 CE2 A:PHE387 4.2 36.5 1.0 CE1 A:PHE387 4.3 38.7 1.0 CD2 A:LEU428 4.5 56.3 1.0 CD1 A:LEU408 4.6 34.9 1.0 CD2 A:LEU397 4.7 33.1 1.0 CD1 A:PHE267 4.8 33.8 1.0 CG A:LEU408 4.9 31.7 1.0 CZ A:PHE267 5.0 33.5 1.0

A.B.Eldrup, F.Soleymanzadeh, S.J.Taylor, I.Muegge, N.A.Farrow, D.Joseph, K.Mckellop, C.C.Man, A.Kukulka, S.De Lombaert. Structure-Based Optimization of Arylamides As Inhibitors of Soluble Epoxide Hydrolase. J.Med.Chem. V. 52 5880 2009.
ISSN: ISSN 0022-2623
PubMed: 19746975
DOI: 10.1021/JM9005302