Chlorine in PDB 3w23: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131:
1.3.98.1;

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131, PDB code: 3w23 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)	32.47 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.998, 71.899, 129.269, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 17.7

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131 also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131 (pdb code 3w23). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131, PDB code: 3w23:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:23.9 occ:1.00 CL1 A:3RO401 0.0 23.9 1.0 CAO A:3RO401 1.8 21.4 1.0 CAI A:3RO401 2.7 17.9 1.0 CAG A:3RO401 2.8 24.4 1.0 NH2 A:ARG50 3.7 14.1 1.0 C A:GLY70 3.8 10.3 1.0 CA A:GLY70 3.9 10.6 1.0 O A:GLY70 4.0 10.4 1.0 CAP A:3RO401 4.0 19.3 1.0 CAF A:3RO401 4.0 25.5 1.0 CB A:LEU71 4.1 12.9 1.0 CG A:PRO131 4.3 24.8 1.0 N A:LEU71 4.3 10.3 1.0 CZ A:ARG50 4.4 13.0 1.0 CD2 A:LEU101 4.5 25.1 1.0 O A:HOH797 4.5 20.1 1.0 CD A:PRO131 4.5 22.6 1.0 CAH A:3RO401 4.5 22.5 1.0 CD2 A:LEU71 4.7 17.5 1.0 O A:HOH658 4.8 47.7 1.0 NE A:ARG50 4.8 12.4 1.0 CA A:LEU71 4.9 10.6 1.0 CD1 A:LEU101 4.9 28.1 1.0 O A:HOH795 4.9 24.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-131 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:32.9 occ:1.00 CL1 B:3RO401 0.0 32.9 1.0 CAO B:3RO401 1.7 26.7 1.0 CAG B:3RO401 2.6 27.1 1.0 CAI B:3RO401 2.8 24.4 1.0 O B:HOH780 3.1 23.8 1.0 OAA B:3RO401 3.5 14.1 1.0 CA B:GLY70 3.5 12.0 1.0 N B:GLY70 3.5 12.5 1.0 O B:HOH584 3.8 33.9 1.0 CAF B:3RO401 3.8 28.5 1.0 O B:HOH779 4.0 20.0 1.0 CAP B:3RO401 4.0 18.9 1.0 CG B:PRO131 4.1 32.5 1.0 O B:HOH781 4.2 26.1 1.0 OG B:SER68 4.2 19.7 1.0 ND2 B:ASN53 4.2 14.1 1.0 CAN B:3RO401 4.3 12.6 1.0 CA B:PRO131 4.3 26.0 1.0 CB B:PRO131 4.4 31.5 1.0 CAH B:3RO401 4.4 26.1 1.0 O B:HOH778 4.4 18.8 1.0 C B:GLY70 4.4 12.6 1.0 C B:SER68 4.6 11.8 1.0 N B:LEU71 4.7 11.5 1.0 N B:MET69 4.7 11.9 1.0 C B:MET69 4.7 10.7 1.0 CA B:SER68 4.8 11.1 1.0 N B:PRO131 4.8 27.3 1.0 CD B:PRO131 4.9 28.2 1.0 OAD B:3RO401 4.9 14.1 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-3-131 To Be Published.