Fluorine in PDB 4ylw: Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with No.33 Compound

All present enzymatic activity of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with No.33 Compound:
1.3.5.2;

The structure of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with No.33 Compound, PDB code: 4ylw was solved by D.Wu, P.Ouyang, W.Lu, J.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.64 / 1.79
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.721, 90.721, 123.020, 90.00, 90.00, 120.00
R / Rfree (%)	15.5 / 17.8

The binding sites of Fluorine atom in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with No.33 Compound (pdb code 4ylw). 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 Human Dihydroorotate Dehydrogenase (Dhodh) with No.33 Compound, PDB code: 4ylw:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with No.33 Compound


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 Human Dihydroorotate Dehydrogenase (Dhodh) with No.33 Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:60.4 occ:1.00 F20 A:52Y401 0.0 60.4 1.0 C10 A:52Y401 1.4 35.7 1.0 C9 A:52Y401 2.4 30.8 1.0 C11 A:52Y401 2.4 41.2 1.0 N14 A:52Y401 2.8 36.2 1.0 CD2 A:LEU68 3.0 36.1 1.0 O19 A:52Y401 3.1 39.9 1.0 C15 A:52Y401 3.1 43.1 1.0 O A:LEU67 3.2 35.1 1.0 CB A:PHE62 3.2 21.9 1.0 C8 A:52Y401 3.6 28.9 1.0 C12 A:52Y401 3.7 36.4 1.0 C18 A:52Y401 3.8 40.7 1.0 OG1 A:THR63 3.9 19.1 1.0 N A:THR63 4.0 18.5 1.0 C A:PHE62 4.1 22.4 1.0 C13 A:52Y401 4.1 32.5 1.0 CG A:LEU68 4.1 41.6 1.0 CG A:PHE62 4.2 28.4 1.0 C23 A:52Y401 4.2 36.9 1.0 CD2 A:PHE62 4.2 31.6 1.0 C A:LEU67 4.3 30.3 1.0 CA A:PHE62 4.3 21.1 1.0 C16 A:52Y401 4.3 37.2 1.0 O A:ALA59 4.4 18.8 1.0 C21 A:52Y401 4.4 37.5 1.0 CA A:THR63 4.4 17.8 1.0 O A:PHE62 4.4 22.3 1.0 N24 A:52Y401 4.5 32.5 1.0 CA A:LEU68 4.7 34.9 1.0 C5 A:52Y401 4.7 32.2 1.0 CG A:PRO364 4.8 22.8 1.0 CB A:THR63 4.8 18.5 1.0 CB A:LEU68 4.9 36.1 1.0 C6 A:52Y401 4.9 30.7 1.0 S17 A:52Y401 5.0 42.5 1.0 N A:LEU68 5.0 27.4 1.0

D.Wu, P.Ouyang, W.Lu, J.Huang. Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with No.33 Compound To Be Published.