Fluorine in PDB 1uuo: Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar

All present enzymatic activity of Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar:
1.3.99.11;

The structure of Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar, PDB code: 1uuo was solved by M.Hansen, J.Le Nours, E.Johansson, T.Antal, A.Ullrich, M.Loffler, S.Larsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.44
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	49.753, 95.801, 144.469, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26.3

The structure of Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Sodium	(Na)	1 atom

The binding sites of Fluorine atom in the Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar (pdb code 1uuo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar, PDB code: 1uuo:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar within 5.0Å range: probe atom residue distance (Å) B Occ A:F1397 b:33.3 occ:1.00 F1 A:BRF1397 0.0 33.3 1.0 C14 A:BRF1397 1.2 33.7 1.0 C10 A:BRF1397 2.3 33.7 1.0 C15 A:BRF1397 2.3 33.7 1.0 CG1 A:VAL134 3.1 24.8 1.0 C11 A:BRF1397 3.6 34.2 1.0 C6 A:BRF1397 3.6 34.1 1.0 C7M A:FMN1398 4.0 19.2 1.0 CD1 A:ILE360 4.0 24.4 1.0 O A:PRO52 4.1 31.5 1.0 C7 A:BRF1397 4.1 34.5 1.0 CB A:PRO52 4.1 33.6 1.0 CG1 A:VAL143 4.1 19.5 1.0 CB A:VAL134 4.4 26.0 1.0 C A:PRO52 4.5 32.3 1.0 CB A:HIS56 4.7 25.8 1.0 CA A:PRO52 4.7 33.3 1.0 CG2 A:VAL143 4.8 20.1 1.0 C4 A:BRF1397 4.9 34.5 1.0 CG2 A:VAL134 4.9 25.9 1.0 OH A:TYR356 5.0 20.9 1.0 ND1 A:HIS56 5.0 25.4 1.0 CG1 A:ILE360 5.0 25.3 1.0

Fluorine binding site 2 out of 2 in the Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Brequinar within 5.0Å range: probe atom residue distance (Å) B Occ A:F1397 b:43.5 occ:1.00 F2 A:BRF1397 0.0 43.5 1.0 C18 A:BRF1397 1.2 42.8 1.0 C20 A:BRF1397 2.3 43.3 1.0 C17 A:BRF1397 2.3 42.0 1.0 C16 A:BRF1397 2.9 40.5 1.0 C12 A:BRF1397 3.2 39.9 1.0 CD2 A:LEU42 3.5 41.7 1.0 C21 A:BRF1397 3.6 43.5 1.0 C19 A:BRF1397 3.6 42.5 1.0 CE2 A:TYR38 3.8 38.4 1.0 C22 A:BRF1397 4.1 43.1 1.0 C13 A:BRF1397 4.1 39.6 1.0 CD2 A:LEU46 4.2 43.1 1.0 SD A:MET43 4.2 38.3 1.0 CD1 A:LEU42 4.4 41.9 1.0 C8 A:BRF1397 4.4 38.6 1.0 CD2 A:TYR38 4.5 38.8 1.0 CG A:LEU42 4.6 41.6 1.0 CD A:PRO364 4.8 24.7 1.0 OH A:TYR38 4.8 38.2 1.0 CE A:MET43 4.8 38.5 1.0 CZ A:TYR38 4.8 38.5 1.0

M.Hansen, J.Le Nours, E.Johansson, T.Antal, A.Ullrich, M.Loffler, S.Larsen. Inhibitor Binding in A Class 2 Dihydroorotate Dehydrogenase Causes Variations in the Membrane-Associated N-Terminal Domain Protein Sci. V. 13 1031 2004.
ISSN: ISSN 0961-8368
PubMed: 15044733
DOI: 10.1110/PS.03533004