Chlorine in PDB 5zfa: Structure of Human Dihydroorotate Dehydrogenase in Complex with 287- 12-Ocoipr

All present enzymatic activity of Structure of Human Dihydroorotate Dehydrogenase in Complex with 287- 12-Ocoipr:
1.3.5.2;

The structure of Structure of Human Dihydroorotate Dehydrogenase in Complex with 287- 12-Ocoipr, PDB code: 5zfa was solved by Y.Miyazaki, K.D.Inaoka, T.Shiba, H.Saimoto, E.Amalia, Y.Kido, C.Sakai, M.Nakamura, L.A.Moore, S.Harada, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.02 / 1.75
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.497, 90.497, 122.667, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 18.3

The binding sites of Chlorine atom in the Structure of Human Dihydroorotate Dehydrogenase in Complex with 287- 12-Ocoipr (pdb code 5zfa). 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 Structure of Human Dihydroorotate Dehydrogenase in Complex with 287- 12-Ocoipr, PDB code: 5zfa:

Chlorine binding site 1 out of 1 in the Structure of Human Dihydroorotate Dehydrogenase in Complex with 287- 12-Ocoipr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Dihydroorotate Dehydrogenase in Complex with 287- 12-Ocoipr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:22.3 occ:1.00 CLA A:9BU409 0.0 22.3 1.0 CAY A:9BU409 1.7 20.2 1.0 CAV A:9BU409 2.7 19.3 1.0 CAW A:9BU409 2.7 20.5 1.0 OAH A:9BU409 2.9 20.5 1.0 CAC A:9BU409 3.0 20.5 1.0 NE A:ARG136 3.4 20.2 1.0 CB A:PRO52 3.5 22.0 1.0 CG A:ARG136 3.5 17.2 1.0 CA A:PRO52 3.6 21.7 1.0 O A:HOH575 3.8 24.8 1.0 O A:PRO52 4.0 21.1 1.0 CAZ A:9BU409 4.0 19.8 1.0 CZ A:ARG136 4.0 20.8 1.0 CD A:ARG136 4.0 19.1 1.0 CBA A:9BU409 4.0 19.9 1.0 NH2 A:ARG136 4.1 20.5 1.0 CG A:PRO52 4.2 22.1 1.0 C A:PRO52 4.2 20.9 1.0 CAX A:9BU409 4.5 19.6 1.0 CG1 A:VAL134 4.7 18.9 1.0 NE2 A:GLN47 4.8 23.8 1.0 CG2 A:VAL143 4.8 12.8 1.0 N A:PRO52 4.9 22.9 1.0 CB A:ARG136 4.9 16.5 1.0 CB A:ALA55 5.0 18.7 1.0 NH1 A:ARG136 5.0 21.1 1.0

Y.Miyazaki, D.K.Inaoka, T.Shiba, H.Saimoto, T.Sakura, E.Amalia, Y.Kido, C.Sakai, M.Nakamura, A.L.Moore, S.Harada, K.Kita. Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions. Front Pharmacol V. 9 997 2018.
ISSN: ISSN 1663-9812
PubMed: 30233375
DOI: 10.3389/FPHAR.2018.00997