Iron 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
Bromine	(Br)	2 atoms

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Aetd in Complex with 5-Bromo-L-Tryptophan, PDB code: 8ji4:
Jump to Iron binding site number: 1; 2;

Iron 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 Iron with other atoms in the Fe 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:Fe301 b:20.5 occ:1.00 O A:64X302 2.1 22.4 1.0 ND1 A:HIS79 2.1 23.9 1.0 NE2 A:HIS172 2.1 23.4 1.0 OE1 A:GLU176 2.1 24.7 1.0 O A:HOH420 2.1 30.4 1.0 N A:64X302 2.1 20.1 1.0 C A:64X302 2.8 25.3 1.0 CA A:64X302 3.0 20.7 1.0 CE1 A:HIS79 3.0 27.0 1.0 CD A:GLU176 3.0 30.2 1.0 CD2 A:HIS172 3.1 24.5 1.0 CE1 A:HIS172 3.1 20.4 1.0 CG A:HIS79 3.2 24.9 1.0 OE2 A:GLU176 3.3 33.1 1.0 CB A:HIS79 3.5 22.4 1.0 CB A:64X302 3.9 21.0 1.0 OXT A:64X302 4.1 21.9 1.0 NE2 A:HIS79 4.2 25.3 1.0 ND1 A:HIS172 4.2 23.0 1.0 CG A:HIS172 4.2 24.7 1.0 CD2 A:HIS79 4.3 25.8 1.0 CG A:GLU176 4.4 36.7 1.0 CB A:GLU176 4.8 34.8 1.0 O A:ASP76 4.9 26.5 1.0 CE1 A:TYR167 5.0 19.5 1.0

Iron 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 Iron with other atoms in the Fe 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:Fe301 b:22.9 occ:1.00 OXT B:64X302 2.1 24.8 1.0 O B:HOH486 2.1 30.8 1.0 ND1 B:HIS79 2.1 28.0 1.0 NE2 B:HIS172 2.1 25.8 1.0 OE2 B:GLU176 2.1 27.6 1.0 N B:64X302 2.2 25.8 1.0 C B:64X302 2.8 28.9 1.0 CA B:64X302 3.0 24.7 1.0 CE1 B:HIS79 3.0 28.8 1.0 CE1 B:HIS172 3.1 21.6 1.0 CD B:GLU176 3.1 46.9 1.0 CD2 B:HIS172 3.2 24.1 1.0 CG B:HIS79 3.2 24.9 1.0 CB B:HIS79 3.6 24.6 1.0 OE1 B:GLU176 3.7 48.3 1.0 O B:HOH401 3.8 43.6 1.0 CB B:64X302 3.8 24.1 1.0 O B:64X302 4.1 22.7 1.0 ND1 B:HIS172 4.2 25.4 1.0 NE2 B:HIS79 4.2 26.5 1.0 CG B:HIS172 4.3 23.8 1.0 CG B:GLU176 4.3 45.4 1.0 CD2 B:HIS79 4.3 27.0 1.0 OD1 B:ASP76 4.6 37.4 1.0 O B:HOH404 4.8 43.2 1.0 CE2 B:PHE48 4.9 23.1 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.