Iron in PDB 8ci9: Deoxypodophyllotoxin Synthase in Complex with Tris

All present enzymatic activity of Deoxypodophyllotoxin Synthase in Complex with Tris:
1.14.20.8;

The structure of Deoxypodophyllotoxin Synthase in Complex with Tris, PDB code: 8ci9 was solved by Z.Ingold, B.Lichman, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.16 / 1.41
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.713, 66.828, 55.209, 90, 105.85, 90
R / Rfree (%)	18.6 / 22

The binding sites of Iron atom in the Deoxypodophyllotoxin Synthase in Complex with Tris (pdb code 8ci9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Deoxypodophyllotoxin Synthase in Complex with Tris, PDB code: 8ci9:

Iron binding site 1 out of 1 in the Deoxypodophyllotoxin Synthase in Complex with Tris


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Deoxypodophyllotoxin Synthase in Complex with Tris within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:19.3 occ:1.00 OD1 C:ASP186 2.0 19.6 1.0 N C:TRS404 2.0 27.0 1.0 NE2 C:HIS184 2.1 21.4 1.0 NE2 C:HIS239 2.1 21.6 1.0 O2 C:TRS404 2.1 22.1 1.0 O C:HOH595 2.2 26.4 1.0 C2 C:TRS404 3.0 26.9 1.0 C C:TRS404 3.0 27.9 1.0 CG C:ASP186 3.0 20.2 1.0 CD2 C:HIS184 3.0 18.6 1.0 CE1 C:HIS239 3.1 20.5 1.0 CE1 C:HIS184 3.1 20.9 1.0 CD2 C:HIS239 3.1 20.1 1.0 OD2 C:ASP186 3.3 19.2 1.0 C3 C:TRS404 3.8 29.3 1.0 O C:HOH669 4.1 41.4 1.0 O1 C:TRS404 4.1 30.0 1.0 O3 C:TRS404 4.2 31.7 1.0 C1 C:TRS404 4.2 30.2 1.0 ND1 C:HIS184 4.2 21.9 1.0 CG C:HIS184 4.2 22.3 1.0 ND1 C:HIS239 4.2 20.5 1.0 CG C:HIS239 4.2 21.1 1.0 CB C:ASP186 4.4 17.9 1.0 CA C:ASP186 4.8 17.5 1.0 N C:ASP186 4.8 18.2 1.0

Z.Ingold, G.Grogan, B.R.Lichman. Structure and Mutation of Deoxypodophyllotoxin Synthase (Dps) From Podophyllum Hexandrum Front Catal V. 3 2023.
DOI: 10.3389/FCTLS.2023.1178345