Fluorine in PDB 4zmg: Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A338

All present enzymatic activity of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A338:
1.3.5.2;

The structure of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A338, PDB code: 4zmg was solved by X.L.Ren, J.S.Zhu, L.L.Zhu, H.L.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.51 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.020, 91.020, 122.790, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 19.8

The binding sites of Fluorine atom in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A338 (pdb code 4zmg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A338, PDB code: 4zmg:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A338


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 DH03A338 within 5.0Å range: probe atom residue distance (Å) B Occ A:F403 b:17.5 occ:1.00 F22 A:4R5403 0.0 17.5 1.0 C10 A:4R5403 1.3 16.7 1.0 C9 A:4R5403 2.3 16.2 1.0 C11 A:4R5403 2.4 16.4 1.0 N8 A:4R5403 2.8 15.8 1.0 O21 A:4R5403 2.8 14.1 1.0 C7 A:4R5403 3.0 15.5 1.0 O A:LEU359 3.4 14.3 1.0 CA A:THR360 3.5 14.3 1.0 C A:LEU359 3.6 13.8 1.0 C14 A:4R5403 3.6 17.2 1.0 CG A:LEU359 3.6 16.3 1.0 C12 A:4R5403 3.6 16.6 1.0 N A:THR360 3.7 13.6 1.0 CG2 A:THR360 3.8 14.1 1.0 CD2 A:LEU359 4.0 17.0 1.0 CE1 A:PHE98 4.0 15.1 1.0 N6 A:4R5403 4.1 15.8 1.0 C13 A:4R5403 4.1 16.6 1.0 CB A:LEU359 4.1 14.2 1.0 CB A:THR360 4.1 14.6 1.0 CB A:ALA59 4.1 15.1 1.0 CA A:LEU359 4.5 13.6 1.0 CE A:MET43 4.6 19.3 1.0 F24 A:4R5403 4.7 17.3 1.0 C A:THR360 4.7 15.5 1.0 C2 A:4R5403 4.7 16.1 1.0 CD1 A:PHE98 4.8 14.7 1.0 CD1 A:LEU359 4.8 16.7 1.0 CZ A:PHE98 4.8 15.1 1.0 C3 A:4R5403 4.8 15.7 1.0 C15 A:4R5403 4.9 17.1 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A338


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A338 within 5.0Å range: probe atom residue distance (Å) B Occ A:F403 b:17.3 occ:1.00 F24 A:4R5403 0.0 17.3 1.0 C14 A:4R5403 1.3 17.2 1.0 C9 A:4R5403 2.4 16.2 1.0 C13 A:4R5403 2.4 16.6 1.0 N8 A:4R5403 2.7 15.8 1.0 O A:HOH579 3.5 21.9 1.0 C10 A:4R5403 3.6 16.7 1.0 CB A:ALA55 3.6 15.8 1.0 C12 A:4R5403 3.6 16.6 1.0 O A:ALA55 3.6 14.5 1.0 C7 A:4R5403 3.7 15.5 1.0 CE A:MET43 4.0 19.3 1.0 CA A:ALA55 4.0 15.3 1.0 C A:ALA55 4.0 14.5 1.0 CD1 A:LEU46 4.1 30.5 1.0 C11 A:4R5403 4.1 16.4 1.0 O21 A:4R5403 4.3 14.1 1.0 CB A:LEU46 4.4 28.3 1.0 CB A:ALA59 4.5 15.1 1.0 N6 A:4R5403 4.5 15.8 1.0 F22 A:4R5403 4.7 17.5 1.0 C15 A:4R5403 4.8 17.1 1.0 CG A:LEU46 4.9 30.6 1.0 SD A:MET43 5.0 20.6 1.0 N A:ALA59 5.0 16.0 1.0

X.L.Ren, J.S.Zhu, L.L.Zhu, H.L.Li. Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with DH03A338 To Be Published.