Chlorine in PDB 3g0u: Human Dihydroorotate Dehydrogenase in Complex with A Leflunomide Derivative Inhibitor 4

All present enzymatic activity of Human Dihydroorotate Dehydrogenase in Complex with A Leflunomide Derivative Inhibitor 4:
1.3.3.1;

The structure of Human Dihydroorotate Dehydrogenase in Complex with A Leflunomide Derivative Inhibitor 4, PDB code: 3g0u was solved by M.Davis, T.Heikkila, G.A.Mcconkey, C.W.G.Fishwick, M.R.Parsons, A.P.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.59 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.752, 90.752, 122.799, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 20.3

The binding sites of Chlorine atom in the Human Dihydroorotate Dehydrogenase in Complex with A Leflunomide Derivative Inhibitor 4 (pdb code 3g0u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Dihydroorotate Dehydrogenase in Complex with A Leflunomide Derivative Inhibitor 4, PDB code: 3g0u:

Chlorine binding site 1 out of 1 in the Human Dihydroorotate Dehydrogenase in Complex with A Leflunomide Derivative Inhibitor 4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Dihydroorotate Dehydrogenase in Complex with A Leflunomide Derivative Inhibitor 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:17.5 occ:1.00 CLAF A:MDY2 0.0 17.5 1.0 CAT A:MDY2 1.7 16.1 1.0 CAN A:MDY2 2.7 15.4 1.0 CAV A:MDY2 2.7 13.5 1.0 NAO A:MDY2 2.9 12.9 1.0 CE1 A:PHE98 3.4 10.9 1.0 CD2 A:LEU359 3.5 17.4 1.0 CG A:LEU359 3.7 17.6 1.0 OAE A:MDY2 3.7 16.0 1.0 CD1 A:PHE98 3.7 11.1 1.0 CG2 A:THR360 3.8 14.9 1.0 CAU A:MDY2 4.0 19.2 1.0 CAM A:MDY2 4.0 19.4 1.0 CE2 A:TYR356 4.0 8.9 1.0 CB A:LEU359 4.0 9.9 1.0 CAR A:MDY2 4.1 15.0 1.0 C A:LEU359 4.2 11.8 1.0 N A:THR360 4.2 11.9 1.0 CB A:ALA59 4.3 10.1 1.0 O A:LEU359 4.3 13.5 1.0 CA A:THR360 4.3 12.5 1.0 CZ A:PHE98 4.5 7.3 1.0 CAL A:MDY2 4.5 19.1 1.0 CAQ A:MDY2 4.6 14.9 1.0 CB A:THR360 4.6 14.3 1.0 CD2 A:TYR356 4.6 6.5 1.0 CA A:LEU359 4.8 11.7 1.0 CAS A:MDY2 4.8 14.0 1.0 OAD A:MDY2 4.8 16.0 1.0 OAP A:MDY2 4.9 25.5 1.0 CG A:PHE98 4.9 9.4 1.0

M.Davies, T.Heikkila, G.A.Mcconkey, C.W.G.Fishwick, M.R.Parsons, A.P.Johnson. Structure-Based Design, Synthesis, and Characterization of Inhibitors of Human and Plasmodium Falciparum Dihydroorotate Dehydrogenases J.Med.Chem. V. 52 2683 2009.
ISSN: ISSN 0022-2623
PubMed: 19351152
DOI: 10.1021/JM800963T