Bromine in PDB 3w1m: Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Bromoorotate

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

The structure of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Bromoorotate, PDB code: 3w1m 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, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.95 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.341, 71.912, 123.849, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 18.3

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

Cobalt

(Co)

1 atom

The binding sites of Bromine atom in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Bromoorotate (pdb code 3w1m). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Bromoorotate, PDB code: 3w1m:
Jump to Bromine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Bromoorotate within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:9.9 occ:1.00 BR A:RRO403 0.0 9.9 1.0 CAJ A:RRO403 1.9 6.1 1.0 CAL A:RRO403 2.8 5.5 1.0 CAI A:RRO403 2.9 5.7 1.0 OAC A:RRO403 3.0 5.3 1.0 OAD A:RRO403 3.1 5.7 1.0 CAH A:RRO403 3.2 6.2 1.0 CD1 A:LEU71 3.4 14.0 1.0 SG A:CYS130 3.5 25.7 1.0 O4 A:FMN401 3.6 5.8 1.0 C4 A:FMN401 3.6 4.9 1.0 ND2 A:ASN127 3.9 6.5 1.0 N3 A:FMN401 3.9 5.2 1.0 NAG A:RRO403 4.1 5.1 1.0 CB A:CYS130 4.1 17.7 1.0 NAF A:RRO403 4.1 5.1 1.0 NZ A:LYS43 4.2 5.1 1.0 CB A:SER44 4.2 6.1 1.0 OAA A:RRO403 4.2 6.8 1.0 C4A A:FMN401 4.2 4.6 1.0 CB A:LEU71 4.3 10.5 1.0 CG A:LEU71 4.3 12.9 1.0 CA A:LEU71 4.4 8.5 1.0 OG A:SER44 4.5 5.7 1.0 CD2 A:LEU71 4.6 12.7 1.0 N5 A:FMN401 4.6 4.2 1.0 OG A:SER99 4.6 12.9 1.0 CAK A:RRO403 4.7 5.0 1.0 C2 A:FMN401 4.7 5.2 1.0 N A:LEU71 4.7 7.5 1.0 CA A:CYS130 4.7 17.7 1.0 CE A:LYS43 4.8 5.1 1.0 C10 A:FMN401 5.0 4.3 1.0

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Bromoorotate within 5.0Å range: probe atom residue distance (Å) B Occ B:Br402 b:10.2 occ:1.00 BR B:RRO402 0.0 10.2 1.0 CAJ B:RRO402 1.9 7.7 1.0 CAL B:RRO402 2.8 7.1 1.0 CAI B:RRO402 2.9 7.2 1.0 OAC B:RRO402 3.0 6.3 1.0 OAA B:RRO402 3.1 7.2 1.0 CAH B:RRO402 3.2 8.1 1.0 O4 B:FMN401 3.6 4.4 1.0 SG B:CYS130 3.6 35.2 1.0 CD1 B:LEU71 3.7 12.8 1.0 C4 B:FMN401 3.7 3.9 1.0 ND2 B:ASN127 3.8 9.5 1.0 N3 B:FMN401 3.9 3.9 1.0 CB B:CYS130 4.0 25.6 1.0 NAG B:RRO402 4.1 6.9 1.0 NAF B:RRO402 4.1 7.2 1.0 OAD B:RRO402 4.2 8.1 1.0 CB B:SER44 4.2 7.3 1.0 C4A B:FMN401 4.2 3.9 1.0 NZ B:LYS43 4.3 7.8 1.0 CB B:LEU71 4.3 10.0 1.0 CG B:LEU71 4.4 11.7 1.0 CA B:LEU71 4.4 8.2 1.0 CD2 B:LEU71 4.5 13.2 1.0 OG B:SER44 4.5 7.1 1.0 OG B:SER99 4.6 11.9 1.0 N5 B:FMN401 4.6 3.9 1.0 CA B:CYS130 4.7 23.9 1.0 C2 B:FMN401 4.7 4.1 1.0 CAK B:RRO402 4.7 7.3 1.0 N B:LEU71 4.7 8.0 1.0 CE B:LYS43 4.8 7.7 1.0 C10 B:FMN401 5.0 3.7 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. Crystal Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with 5-Bromoorotate To Be Published.