Bromine in PDB 8ji4: Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan

The structure of Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan, PDB code: 8ji4 was solved by H.Li, L.Dai, H.B.Zheng, C.-C.Chen, R.-T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.39 / 1.67
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	65.417, 65.417, 116.617, 90, 90, 90
R / Rfree (%)	17.2 / 20.7

The structure of Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan also contains other interesting chemical elements:

Nickel	(Ni)	5 atoms
Iron	(Fe)	2 atoms

The binding sites of Bromine atom in the Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan (pdb code 8ji4). 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 Aetd in Complex with 5-Bromo-L-Tryptophan, PDB code: 8ji4:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan


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 Aetd in Complex with 5-Bromo-L-Tryptophan within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:27.7 occ:1.00 BR1 A:64X302 0.0 27.7 1.0 CZ3 A:64X302 1.8 21.4 1.0 CE3 A:64X302 2.8 21.6 1.0 CH2 A:64X302 3.0 22.6 1.0 CD2 A:PHE44 4.0 20.2 1.0 CD1 A:LEU217 4.0 23.6 1.0 CD2 A:LEU217 4.1 21.4 1.0 CG A:PHE44 4.2 18.9 1.0 CD1 A:ILE146 4.2 23.2 1.0 CD2 A:64X302 4.2 20.1 1.0 CE2 A:PHE44 4.2 20.1 1.0 CZ2 A:64X302 4.2 23.7 1.0 CZ A:PHE221 4.3 25.9 1.0 CE2 A:PHE221 4.3 27.3 1.0 CD1 A:PHE44 4.6 20.4 1.0 CE2 A:PHE147 4.6 22.8 1.0 CZ A:PHE44 4.6 21.8 1.0 CG2 A:ILE146 4.6 23.8 1.0 CB A:PHE44 4.7 18.7 1.0 CE2 A:64X302 4.7 22.0 1.0 CG A:LEU217 4.7 22.9 1.0 CG2 A:ILE41 4.7 21.1 1.0 CG1 A:ILE41 4.8 23.7 1.0 CE1 A:PHE44 4.8 21.7 1.0 CZ A:PHE147 4.9 23.6 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan


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 Aetd in Complex with 5-Bromo-L-Tryptophan within 5.0Å range: probe atom residue distance (Å) B Occ B:Br302 b:28.3 occ:1.00 BR1 B:64X302 0.0 28.3 1.0 CZ3 B:64X302 1.9 23.4 1.0 CH2 B:64X302 2.9 24.2 1.0 CE3 B:64X302 2.9 22.4 1.0 CD2 B:PHE44 4.0 21.4 1.0 CD1 B:LEU217 4.1 22.3 1.0 CG B:PHE44 4.2 20.6 1.0 CD2 B:LEU217 4.2 23.7 1.0 CE2 B:PHE44 4.2 18.8 1.0 CD2 B:64X302 4.2 21.9 1.0 CZ2 B:64X302 4.2 23.8 1.0 CD1 B:ILE146 4.2 23.9 1.0 CZ B:PHE221 4.3 24.2 1.0 CE2 B:PHE221 4.4 24.0 1.0 CD1 B:PHE44 4.6 21.9 1.0 CZ B:PHE44 4.6 20.9 1.0 CE2 B:PHE147 4.6 24.2 1.0 CG2 B:ILE146 4.6 23.7 1.0 CG2 B:ILE41 4.7 25.6 1.0 CE2 B:64X302 4.7 21.9 1.0 CG1 B:ILE41 4.7 22.6 1.0 CB B:PHE44 4.8 21.4 1.0 CE1 B:PHE44 4.8 23.0 1.0 CG B:LEU217 4.8 22.1 1.0 CZ B:PHE147 4.9 23.4 1.0

H.Li, L.Dai, H.B.Zheng, C.-C.Chen, R.-T.Guo. Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan To Be Published.