Iron in PDB 8zvh: Crystal Structure of Aetd in Complex with L-Phenylalanine

The structure of Crystal Structure of Aetd in Complex with L-Phenylalanine, PDB code: 8zvh 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)	32.54 / 1.87
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	65.043, 65.043, 116.211, 90, 90, 90
R / Rfree (%)	19.2 / 25

The structure of Crystal Structure of Aetd in Complex with L-Phenylalanine 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-Phenylalanine (pdb code 8zvh). 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-Phenylalanine, PDB code: 8zvh:
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-Phenylalanine


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-Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:22.0 occ:1.00 O A:HOH418 2.0 24.3 1.0 N A:PHE302 2.0 21.8 1.0 OE1 A:GLU176 2.1 27.6 1.0 NE2 A:HIS172 2.1 24.9 1.0 OXT A:PHE302 2.1 24.0 1.0 ND1 A:HIS79 2.2 26.8 1.0 C A:PHE302 2.8 23.9 1.0 CA A:PHE302 2.9 22.3 1.0 CE1 A:HIS172 3.0 22.3 1.0 CD A:GLU176 3.0 36.0 1.0 CE1 A:HIS79 3.1 28.4 1.0 CD2 A:HIS172 3.2 24.1 1.0 CG A:HIS79 3.2 23.7 1.0 OE2 A:GLU176 3.3 35.4 1.0 CB A:HIS79 3.5 23.5 1.0 CB A:PHE302 3.8 25.5 1.0 O A:PHE302 4.0 21.1 1.0 ND1 A:HIS172 4.1 24.4 1.0 CG A:HIS172 4.2 23.1 1.0 NE2 A:HIS79 4.3 25.4 1.0 CG A:GLU176 4.4 37.4 1.0 CD2 A:HIS79 4.4 24.2 1.0 O A:ASP76 4.6 23.7 1.0 CB A:GLU176 4.8 32.9 1.0 CG A:PHE302 4.9 25.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Aetd in Complex with L-Phenylalanine


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-Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:28.4 occ:1.00 ND1 B:HIS79 1.9 23.7 1.0 O B:HOH415 2.0 32.0 1.0 NE2 B:HIS172 2.1 26.0 1.0 OE1 B:GLU176 2.2 44.9 1.0 N B:PHE302 2.3 31.9 1.0 O B:PHE302 2.3 25.1 1.0 CE1 B:HIS79 2.8 29.5 1.0 C B:PHE302 2.9 28.3 1.0 CD B:GLU176 3.0 62.6 1.0 CE1 B:HIS172 3.0 30.2 1.0 CD2 B:HIS172 3.1 25.9 1.0 CA B:PHE302 3.1 32.2 1.0 CG B:HIS79 3.1 26.5 1.0 OE2 B:GLU176 3.1 65.2 1.0 CB B:HIS79 3.6 24.7 1.0 NE2 B:HIS79 4.0 26.9 1.0 CB B:PHE302 4.0 32.6 1.0 CD2 B:HIS79 4.1 27.2 1.0 ND1 B:HIS172 4.2 29.8 1.0 OXT B:PHE302 4.2 25.6 1.0 CG B:HIS172 4.2 28.4 1.0 CG B:GLU176 4.4 69.3 1.0 CE2 B:PHE48 4.8 31.9 1.0 O B:ASP76 4.9 29.7 1.0

C.C.Chen, H.Li, J.W.Huang, R.T.Guo. Structural and Molecular Insights of Two Unique Enzymes Involved in the Biosynthesis of A Natural Halogenated Nitrile. Febs J. 2024.
ISSN: ISSN 1742-464X
PubMed: 39308083
DOI: 10.1111/FEBS.17279