Bromine in PDB 8ji5: Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan and Two FE2+

The structure of Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan and Two FE2+, PDB code: 8ji5 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)	22.77 / 2.01
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	65.633, 65.633, 117.313, 90, 90, 90
R / Rfree (%)	20.6 / 27.3

The structure of Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan and Two FE2+ also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Iron	(Fe)	4 atoms

The binding sites of Bromine atom in the Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan and Two FE2+ (pdb code 8ji5). 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 and Two FE2+, PDB code: 8ji5:
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 and Two FE2+


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 and Two FE2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:31.4 occ:1.00 BR1 A:64X303 0.0 31.4 1.0 CZ3 A:64X303 1.8 22.3 1.0 CH2 A:64X303 2.8 20.6 1.0 CE3 A:64X303 2.8 20.4 1.0 CD1 A:PHE44 4.0 18.8 1.0 CZ2 A:64X303 4.0 19.7 1.0 CD2 A:64X303 4.1 19.7 1.0 CE1 A:PHE44 4.2 18.1 1.0 CD1 A:ILE146 4.2 21.8 1.0 CG A:PHE44 4.3 17.0 1.0 CD2 A:LEU217 4.3 19.3 1.0 CD1 A:LEU217 4.4 18.9 1.0 CZ A:PHE221 4.4 18.6 1.0 CE2 A:PHE221 4.4 19.8 1.0 CG2 A:ILE41 4.5 16.6 1.0 CE2 A:64X303 4.5 18.7 1.0 CG2 A:ILE146 4.5 20.4 1.0 CE2 A:PHE147 4.6 22.8 1.0 CZ A:PHE44 4.6 16.7 1.0 CG1 A:ILE41 4.6 16.9 1.0 CD2 A:PHE44 4.7 16.5 1.0 CB A:PHE44 4.8 17.8 1.0 CE2 A:PHE44 4.9 17.2 1.0 CZ A:PHE147 4.9 21.2 1.0 CG A:LEU217 5.0 18.7 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan and Two FE2+


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 and Two FE2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Br303 b:29.0 occ:1.00 BR1 B:64X303 0.0 29.0 1.0 CZ3 B:64X303 1.9 21.7 1.0 CE3 B:64X303 2.9 20.9 1.0 CH2 B:64X303 2.9 21.4 1.0 CD1 B:PHE44 4.0 19.6 1.0 CD1 B:LEU217 4.1 20.5 1.0 CZ2 B:64X303 4.1 20.9 1.0 CD2 B:64X303 4.1 19.7 1.0 CE1 B:PHE44 4.2 18.8 1.0 CG B:PHE44 4.3 18.2 1.0 CE2 B:PHE221 4.3 18.9 1.0 CD1 B:ILE146 4.3 17.7 1.0 CZ B:PHE221 4.4 18.5 1.0 CD2 B:LEU217 4.4 19.8 1.0 CG1 B:ILE41 4.5 13.7 1.0 CG2 B:ILE41 4.6 12.2 1.0 CE2 B:64X303 4.6 19.4 1.0 CZ B:PHE44 4.7 19.2 1.0 CG2 B:ILE146 4.7 15.2 1.0 CE2 B:PHE147 4.7 16.3 1.0 CD2 B:PHE44 4.7 19.8 1.0 CB B:PHE44 4.8 17.9 1.0 CG B:LEU217 4.9 18.3 1.0 CZ B:PHE147 4.9 15.1 1.0 CE2 B:PHE44 4.9 18.5 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 and Two FE2+ To Be Published.