Chlorine in PDB 1uum: Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Atovaquone

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

The structure of Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Atovaquone, PDB code: 1uum 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)	30.00 / 2.30
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	133.150, 133.150, 50.130, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 24.2

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

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Atovaquone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl400 b:42.9 occ:1.00 CL A:AFI400 0.0 42.9 1.0 C20 A:AFI400 1.7 44.6 1.0 C19 A:AFI400 2.7 43.7 1.0 C21 A:AFI400 2.8 44.8 1.0 CA A:GLU40 3.4 68.8 1.0 CB A:GLU40 3.6 69.8 1.0 N A:GLU40 3.8 69.4 1.0 C18 A:AFI400 4.0 42.8 1.0 C22 A:AFI400 4.1 43.6 1.0 CB A:MET43 4.2 53.7 1.0 C A:ALA39 4.2 70.2 1.0 O A:ALA39 4.2 69.9 1.0 CD A:PRO364 4.4 27.9 1.0 CG A:PRO364 4.4 29.9 1.0 C17 A:AFI400 4.6 43.3 1.0 CD A:PRO44 4.6 50.8 1.0 C A:GLU40 4.7 67.8 1.0 CG A:MET43 4.8 54.5 1.0 CG A:PRO44 4.8 50.5 1.0 CG A:GLU40 4.9 71.2 1.0

Chlorine binding site 2 out of 2 in the Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Atovaquone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rat Dihydroorotate Dehydrogenase (Dhod)in Complex with Atovaquone within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl400 b:42.1 occ:1.00 CL B:AFI400 0.0 42.1 1.0 C20 B:AFI400 1.7 44.4 1.0 C19 B:AFI400 2.7 43.4 1.0 C21 B:AFI400 2.8 44.5 1.0 CA B:GLU40 3.4 68.8 1.0 CB B:GLU40 3.6 69.9 1.0 N B:GLU40 3.8 69.3 1.0 C18 B:AFI400 4.0 42.6 1.0 C22 B:AFI400 4.1 43.6 1.0 CB B:MET43 4.2 53.2 1.0 C B:ALA39 4.2 70.0 1.0 O B:ALA39 4.3 69.5 1.0 CD B:PRO364 4.3 27.6 1.0 CG B:PRO364 4.4 30.3 1.0 C17 B:AFI400 4.6 42.9 1.0 CD B:PRO44 4.6 50.7 1.0 C B:GLU40 4.7 67.8 1.0 CG B:MET43 4.8 54.0 1.0 CG B:PRO44 4.8 50.5 1.0 CG B:GLU40 4.8 71.3 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