Fluorine in PDB 3w2k: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165:
1.3.98.1;

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165, PDB code: 3w2k was solved by D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Shiba, K.Sakamoto, S.Suzuki, E.O.Balogun, T.Nara, T.Aoki, M.Inoue, T.Honma, A.Tanaka, S.Harada, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.66 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.057, 71.981, 128.884, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 16.9

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165 also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Fluorine atom in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165 (pdb code 3w2k). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165, PDB code: 3w2k:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:52.6 occ:1.00 FAF A:KRO401 0.0 52.6 1.0 CAQ A:KRO401 1.3 41.0 1.0 CAO A:KRO401 2.4 33.9 1.0 CAH A:KRO401 2.4 38.8 1.0 CAA A:KRO401 2.8 32.3 1.0 O A:HOH666 3.5 25.0 1.0 CAI A:KRO401 3.6 26.1 1.0 CAG A:KRO401 3.6 34.7 1.0 O A:HOH575 3.9 39.0 1.0 O A:HOH678 3.9 23.7 1.0 CA A:GLY70 3.9 9.9 1.0 CG A:PRO131 4.0 27.9 1.0 CAP A:KRO401 4.1 23.4 1.0 C A:GLY70 4.3 9.7 1.0 NH2 A:ARG50 4.7 14.3 1.0 CD A:PRO131 4.7 26.8 1.0 O A:GLY70 4.7 9.6 1.0 N A:GLY70 4.8 9.9 1.0 N A:LEU71 4.9 10.2 1.0

Fluorine binding site 2 out of 2 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:36.7 occ:1.00 FAF B:KRO401 0.0 36.7 1.0 CAQ B:KRO401 1.3 32.6 1.0 CAH B:KRO401 2.3 31.3 1.0 CAO B:KRO401 2.4 32.6 1.0 CAA B:KRO401 2.7 38.0 1.0 O B:HOH518 3.3 17.8 1.0 O B:HOH834 3.4 26.3 1.0 O B:HOH803 3.5 31.6 1.0 CAG B:KRO401 3.6 27.9 1.0 CAI B:KRO401 3.7 29.4 1.0 NZ B:LYS214 3.8 26.4 1.0 O B:HOH802 3.9 18.5 1.0 O B:HOH588 3.9 31.1 1.0 O3 B:GOL403 3.9 41.0 1.0 O B:HOH788 4.0 26.1 1.0 CAP B:KRO401 4.2 20.4 1.0 CD B:LYS214 4.6 19.7 1.0 CE B:LYS214 4.8 23.5 1.0 O B:HOH516 4.9 12.6 1.0 OAE B:KRO401 4.9 14.6 1.0

D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Shiba, K.Sakamoto, S.Suzuki, E.O.Balogun, T.Nara, T.Aoki, M.Inoue, T.Honma, A.Tanaka, S.Harada, K.Kita. Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-165 To Be Published.