Bromine in PDB 4jtu: Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Brequinar Analogue

All present enzymatic activity of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Brequinar Analogue:
1.3.5.2;

The structure of Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Brequinar Analogue, PDB code: 4jtu was solved by L.Zhu, J.Zhu, X.Ren, H.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.48 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.620, 90.620, 123.200, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.9

The binding sites of Bromine atom in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Brequinar Analogue (pdb code 4jtu). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Brequinar Analogue, PDB code: 4jtu:

Bromine binding site 1 out of 1 in the Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with Brequinar Analogue


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 Human Dihydroorotate Dehydrogenase (Dhodh) with Brequinar Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Br407 b:22.8 occ:0.75 BR1 A:JTU407 0.0 22.8 0.8 C15 A:JTU407 1.9 19.3 0.8 C14 A:JTU407 2.8 18.3 0.8 C16 A:JTU407 2.8 18.4 0.8 CG1 A:VAL134 3.0 11.6 0.5 CG2 A:VAL134 3.3 10.7 0.5 C7M A:FMN401 3.9 6.8 1.0 C13 A:JTU407 4.1 17.6 0.8 CG1 A:VAL134 4.1 10.6 0.5 C17 A:JTU407 4.2 18.5 0.8 CB A:PRO52 4.2 17.2 1.0 CB A:VAL134 4.3 10.8 0.5 CB A:VAL134 4.3 11.2 0.5 O A:PRO52 4.4 15.5 1.0 CG1 A:VAL143 4.4 7.5 1.0 OH A:TYR356 4.6 10.4 1.0 CG2 A:VAL134 4.6 11.2 0.5 ND1 A:HIS56 4.6 17.8 1.0 CB A:HIS56 4.6 15.6 1.0 C12 A:JTU407 4.6 18.1 0.8 C A:PRO52 4.7 15.9 1.0 OH A:TYR147 4.7 15.8 1.0 CG A:HIS56 4.8 16.5 1.0 CE2 A:TYR147 4.9 14.3 1.0 CA A:PRO52 5.0 17.1 1.0

L.Zhu, H.Li, J.Zhu, X.Ren. Crystal Structure of Human Dihydroorotate Dehydrogenase (Dhodh) with 057 To Be Published.