Iron in PDB 8ji6: Crystal Structure of Aetd in Complex with L-Tryptophan

The structure of Crystal Structure of Aetd in Complex with L-Tryptophan, PDB code: 8ji6 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)	24.59 / 1.90
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	65.289, 65.289, 116.145, 90, 90, 90
R / Rfree (%)	17.4 / 22.7

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

Nickel

(Ni)

5 atoms

The binding sites of Iron atom in the Crystal Structure of Aetd in Complex with L-Tryptophan (pdb code 8ji6). 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 L-Tryptophan, PDB code: 8ji6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Aetd in Complex with 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 L-Tryptophan within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:9.0 occ:1.00 O A:HOH419 2.0 21.5 1.0 ND1 A:HIS79 2.1 11.1 1.0 O A:TRP302 2.1 14.9 1.0 NE2 A:HIS172 2.1 12.9 1.0 OE1 A:GLU176 2.1 18.0 1.0 N A:TRP302 2.2 12.6 1.0 C A:TRP302 2.8 14.0 1.0 CE1 A:HIS79 3.0 12.4 1.0 CA A:TRP302 3.0 12.4 1.0 CD2 A:HIS172 3.1 12.5 1.0 CD A:GLU176 3.1 20.4 1.0 CE1 A:HIS172 3.1 12.2 1.0 CG A:HIS79 3.2 11.7 1.0 OE2 A:GLU176 3.4 21.9 1.0 CB A:HIS79 3.5 11.3 1.0 CB A:TRP302 3.9 12.3 1.0 OXT A:TRP302 4.0 13.2 1.0 NE2 A:HIS79 4.2 11.7 1.0 ND1 A:HIS172 4.2 12.5 1.0 CG A:HIS172 4.2 12.9 1.0 CD2 A:HIS79 4.3 11.8 1.0 CG A:GLU176 4.5 21.9 1.0 O A:ASP76 4.9 16.3 1.0 CB A:GLU176 4.9 20.5 1.0 CG A:TRP302 5.0 12.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Aetd in Complex with 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 L-Tryptophan within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:14.8 occ:1.00 O B:HOH415 2.0 19.2 1.0 ND1 B:HIS79 2.0 15.9 1.0 OXT B:TRP302 2.1 16.7 1.0 N B:TRP302 2.1 17.6 1.0 OE2 B:GLU176 2.1 27.6 1.0 NE2 B:HIS172 2.1 15.3 1.0 C B:TRP302 2.9 17.9 1.0 CE1 B:HIS79 3.0 18.4 1.0 CA B:TRP302 3.0 18.4 1.0 CD B:GLU176 3.1 38.4 1.0 CD2 B:HIS172 3.1 15.7 1.0 CE1 B:HIS172 3.1 15.8 1.0 CG B:HIS79 3.1 17.9 1.0 OE1 B:GLU176 3.4 42.2 1.0 CB B:HIS79 3.5 16.1 1.0 CB B:TRP302 3.9 18.3 1.0 O B:TRP302 4.1 17.0 1.0 NE2 B:HIS79 4.1 18.0 1.0 ND1 B:HIS172 4.2 16.6 1.0 CD2 B:HIS79 4.2 17.1 1.0 CG B:HIS172 4.3 16.4 1.0 CG B:GLU176 4.4 43.1 1.0 OD1 B:ASP76 4.6 39.8 1.0 CE2 B:PHE48 4.8 15.6 1.0 O B:ASP76 4.9 24.9 1.0

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