Iron in PDB 7e38: Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate

All present enzymatic activity of Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate:
1.14.20.8;

The structure of Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate, PDB code: 7e38 was solved by M.-H.Wu, W.-C.Chang, T.-C.Chien, N.-L.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.89 / 2.05
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.763, 100.763, 172.602, 90, 90, 120
R / Rfree (%)	18 / 21.7

The binding sites of Iron atom in the Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate (pdb code 7e38). 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 Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate, PDB code: 7e38:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate


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 Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:45.5 occ:1.00 O4 A:SIN402 1.9 43.0 1.0 OD1 A:ASP186 2.2 22.4 1.0 NE2 A:HIS239 2.2 23.0 1.0 NE2 A:HIS184 2.3 20.7 1.0 O A:HOH573 2.5 27.4 1.0 C4 A:SIN402 2.8 48.4 1.0 O3 A:SIN402 3.0 46.9 1.0 CG A:ASP186 3.1 23.5 1.0 CD2 A:HIS239 3.1 14.6 1.0 CD2 A:HIS184 3.2 20.6 1.0 CE1 A:HIS184 3.2 20.1 1.0 OD2 A:ASP186 3.2 19.7 1.0 CE1 A:HIS239 3.3 18.1 1.0 C08 A:YTN404 3.9 23.6 0.3 C3 A:SIN402 4.2 38.2 1.0 CG A:HIS239 4.3 15.9 1.0 ND1 A:HIS184 4.3 20.1 1.0 CG A:HIS184 4.3 19.3 1.0 ND1 A:HIS239 4.3 19.1 1.0 C13 A:YTC403 4.4 22.6 0.7 CB A:ASP186 4.5 17.8 1.0 C2 A:SIN402 4.5 44.3 1.0 C14 A:YTN404 4.7 24.8 0.3 N A:ASP186 4.9 18.9 1.0 CA A:ASP186 4.9 19.4 1.0 CE2 A:PHE255 4.9 17.1 1.0 C15 A:YTN404 4.9 24.1 0.3 C05 A:YTC403 4.9 24.8 0.7 C09 A:YTN404 5.0 24.6 0.3 CD2 A:LEU221 5.0 24.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate


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 Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:46.2 occ:1.00 NE2 B:HIS239 2.2 22.3 1.0 O3 B:SIN402 2.2 48.0 1.0 OD1 B:ASP186 2.2 20.9 1.0 O B:HOH569 2.3 26.3 1.0 NE2 B:HIS184 2.3 26.8 1.0 CG B:ASP186 3.0 25.5 1.0 CD2 B:HIS239 3.1 18.6 1.0 C4 B:SIN402 3.1 45.9 1.0 OD2 B:ASP186 3.2 18.3 1.0 CE1 B:HIS184 3.2 25.0 1.0 CE1 B:HIS239 3.3 20.6 1.0 CD2 B:HIS184 3.3 22.6 1.0 O4 B:SIN402 3.5 52.3 1.0 C08 B:YTN404 4.0 23.0 0.3 C3 B:SIN402 4.2 38.1 1.0 CG B:HIS239 4.3 21.3 1.0 ND1 B:HIS239 4.3 22.6 1.0 ND1 B:HIS184 4.3 24.9 1.0 CG B:HIS184 4.4 25.2 1.0 CB B:ASP186 4.5 17.4 1.0 C2 B:SIN402 4.5 40.3 1.0 C13 B:YTC403 4.5 22.4 0.7 C14 B:YTN404 4.8 26.4 0.3 CA B:ASP186 4.9 16.0 1.0 CE2 B:PHE255 4.9 22.6 1.0 N B:ASP186 4.9 17.7 1.0 CZ B:PHE255 5.0 20.8 1.0

M.-H.Wu, W.-C.Chang, T.-C.Chien, N.-L.Chan. Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with Yatein and Succinate To Be Published.