Iodine in PDB 3w1n: Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate

All present enzymatic activity of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate:
1.3.98.1;

The structure of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate, PDB code: 3w1n 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)	26.32 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.580, 71.889, 124.208, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 23.6

The structure of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Iodine atom in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate (pdb code 3w1n). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate, PDB code: 3w1n:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:32.8 occ:1.00 I A:IRO403 0.0 32.8 1.0 CAJ A:IRO403 2.1 17.5 1.0 CAL A:IRO403 3.0 15.6 1.0 CAI A:IRO403 3.1 15.8 1.0 OAD A:IRO403 3.1 14.8 1.0 OAC A:IRO403 3.1 13.9 1.0 CAH A:IRO403 3.3 15.8 1.0 CD1 A:LEU71 3.5 14.7 1.0 SG A:CYS130 3.5 37.2 1.0 O4 A:FMN401 3.6 7.9 1.0 C4 A:FMN401 3.7 7.3 1.0 CB A:CYS130 3.8 27.9 1.0 ND2 A:ASN127 3.9 10.1 1.0 N3 A:FMN401 3.9 7.2 1.0 OAA A:IRO403 4.1 17.9 1.0 CD2 A:LEU71 4.1 13.8 1.0 CG A:LEU71 4.1 13.7 1.0 CB A:SER44 4.1 11.5 1.0 NZ A:LYS43 4.2 10.4 1.0 CB A:LEU71 4.3 12.1 1.0 CA A:LEU71 4.3 11.2 1.0 NAG A:IRO403 4.4 14.1 1.0 OG A:SER44 4.4 12.1 1.0 C4A A:FMN401 4.4 6.9 1.0 NAF A:IRO403 4.4 13.8 1.0 OG A:SER99 4.5 16.8 1.0 CA A:CYS130 4.7 26.0 1.0 N A:LEU71 4.7 10.8 1.0 CE A:LYS43 4.7 10.6 1.0 C2 A:FMN401 4.7 7.2 1.0 CB A:SER99 4.8 15.9 1.0 N5 A:FMN401 4.8 6.8 1.0 CAK A:IRO403 4.9 13.6 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Iodoorotate within 5.0Å range: probe atom residue distance (Å) B Occ B:I402 b:27.7 occ:1.00 I B:IRO402 0.0 27.7 1.0 CAJ B:IRO402 2.1 16.9 1.0 CAL B:IRO402 3.0 15.2 1.0 CAI B:IRO402 3.0 15.9 1.0 OAC B:IRO402 3.2 12.6 1.0 CAH B:IRO402 3.3 15.9 1.0 OAD B:IRO402 3.4 14.6 1.0 SG B:CYS130 3.6 49.3 1.0 CD1 B:LEU71 3.7 17.0 1.0 O4 B:FMN401 3.7 7.5 1.0 ND2 B:ASN127 3.8 14.1 1.0 CB B:CYS130 3.8 39.6 1.0 C4 B:FMN401 3.8 7.7 1.0 CD2 B:LEU71 4.0 17.0 1.0 N3 B:FMN401 4.0 7.6 1.0 OAA B:IRO402 4.1 16.9 1.0 CG B:LEU71 4.1 16.9 1.0 CB B:SER44 4.2 14.1 1.0 CB B:LEU71 4.2 15.4 1.0 NAG B:IRO402 4.3 14.4 1.0 NAF B:IRO402 4.3 14.8 1.0 CA B:LEU71 4.3 14.1 1.0 NZ B:LYS43 4.4 10.8 1.0 OG B:SER99 4.4 16.1 1.0 C4A B:FMN401 4.5 7.8 1.0 CA B:CYS130 4.6 37.7 1.0 OG B:SER44 4.6 14.6 1.0 N B:LEU71 4.7 13.9 1.0 C2 B:FMN401 4.8 7.7 1.0 CB B:SER99 4.8 17.0 1.0 CAK B:IRO402 4.8 14.2 1.0 N5 B:FMN401 4.9 8.3 1.0 CE B:LYS43 4.9 10.9 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 5-Iodoorotate To Be Published.