Iron in PDB 8ji2: Crystal Structure of Aetd in Complex with 5,7-Dibromo-L-Tryptophan

The structure of Crystal Structure of Aetd in Complex with 5,7-Dibromo-L-Tryptophan, PDB code: 8ji2 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)	22.64 / 1.75
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	65.227, 65.227, 116.859, 90, 90, 90
R / Rfree (%)	17.1 / 21.9

The structure of Crystal Structure of Aetd in Complex with 5,7-Dibromo-L-Tryptophan also contains other interesting chemical elements:

Nickel	(Ni)	5 atoms
Bromine	(Br)	6 atoms

The binding sites of Iron atom in the Crystal Structure of Aetd in Complex with 5,7-Dibromo-L-Tryptophan (pdb code 8ji2). 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 5,7-Dibromo-L-Tryptophan, PDB code: 8ji2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Aetd in Complex with 5,7-Dibromo-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 5,7-Dibromo-L-Tryptophan within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:24.0 occ:1.00 O A:HOH415 2.0 33.2 1.0 O A:67I302 2.0 25.4 1.0 NE2 A:HIS172 2.1 29.1 1.0 OE1 A:GLU176 2.1 28.8 1.0 ND1 A:HIS79 2.1 26.5 1.0 N A:67I302 2.2 24.7 1.0 C A:67I302 2.8 27.1 1.0 CA A:67I302 3.0 24.1 1.0 CD A:GLU176 3.0 35.3 1.0 CE1 A:HIS79 3.1 32.1 1.0 CE1 A:HIS172 3.1 24.3 1.0 CD2 A:HIS172 3.1 29.5 1.0 CG A:HIS79 3.2 27.9 1.0 OE2 A:GLU176 3.2 41.2 1.0 CB A:HIS79 3.5 26.2 1.0 CB A:67I302 3.9 24.6 1.0 OXT A:67I302 4.0 24.8 1.0 ND1 A:HIS172 4.2 26.9 1.0 CG A:HIS172 4.2 28.1 1.0 NE2 A:HIS79 4.2 28.5 1.0 CD2 A:HIS79 4.3 27.7 1.0 CG A:GLU176 4.4 38.8 1.0 O A:ASP76 4.8 33.1 1.0 CB A:GLU176 4.9 34.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Aetd in Complex with 5,7-Dibromo-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 5,7-Dibromo-L-Tryptophan within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:25.8 occ:1.00 ND1 B:HIS79 2.0 28.0 1.0 O B:HOH459 2.1 32.9 1.0 OXT B:67I302 2.1 27.0 1.0 OE1 B:GLU176 2.1 35.1 1.0 N B:67I302 2.1 30.0 1.0 NE2 B:HIS172 2.2 29.4 1.0 C B:67I302 2.9 29.3 1.0 CE1 B:HIS79 3.0 30.2 1.0 CA B:67I302 3.0 29.2 1.0 CE1 B:HIS172 3.2 25.0 1.0 CD B:GLU176 3.2 53.5 1.0 CG B:HIS79 3.2 27.8 1.0 CD2 B:HIS172 3.2 27.5 1.0 CB B:HIS79 3.6 27.8 1.0 OE2 B:GLU176 3.8 57.9 1.0 CB B:67I302 3.8 27.1 1.0 O B:67I302 4.1 26.2 1.0 NE2 B:HIS79 4.2 31.6 1.0 CG B:GLU176 4.3 54.5 1.0 CD2 B:HIS79 4.3 31.4 1.0 ND1 B:HIS172 4.3 29.4 1.0 CG B:HIS172 4.3 27.7 1.0 OD1 B:ASP76 4.6 40.7 1.0 O B:HOH404 4.8 38.5 1.0 CE2 B:PHE48 4.8 26.6 1.0

H.Li, L.Dai, H.B.Zheng, C.-C.Chen, R.-T.Guo. Crystal Structure of Aetd in Complex with 5,7-Dibromo-L-Tryptophan To Be Published.