Iron in PDB 7e37: Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with 2-Oxoglutarate

All present enzymatic activity of Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with 2-Oxoglutarate:
1.14.20.8;

The structure of Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with 2-Oxoglutarate, PDB code: 7e37 was solved by M.-H.Wu, H.-Y.Lin, 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)	27.02 / 2.09
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.05, 158.287, 51.874, 90, 90, 90
R / Rfree (%)	19.3 / 23.8

The binding sites of Iron atom in the Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with 2-Oxoglutarate (pdb code 7e37). 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 2-Oxoglutarate, PDB code: 7e37:
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 2-Oxoglutarate


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 2-Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:11.5 occ:1.00 NE2 A:HIS184 2.1 11.7 1.0 O5 A:AKG402 2.1 13.4 1.0 O2 A:AKG402 2.1 17.8 1.0 OD1 A:ASP186 2.2 14.7 1.0 NE2 A:HIS239 2.2 12.8 1.0 O A:HOH552 2.4 18.7 1.0 C2 A:AKG402 2.7 18.1 1.0 C1 A:AKG402 2.8 20.0 1.0 CE1 A:HIS184 3.0 10.5 1.0 CD2 A:HIS239 3.1 10.1 1.0 CG A:ASP186 3.1 13.1 1.0 CD2 A:HIS184 3.1 13.5 1.0 CE1 A:HIS239 3.2 13.0 1.0 OD2 A:ASP186 3.3 13.1 1.0 O1 A:AKG402 4.0 25.2 1.0 O A:HOH530 4.1 27.4 1.0 O A:HOH589 4.1 24.6 1.0 ND1 A:HIS184 4.1 11.2 1.0 C3 A:AKG402 4.2 14.3 1.0 CG A:HIS184 4.2 9.5 1.0 CG A:HIS239 4.2 11.5 1.0 ND1 A:HIS239 4.3 10.8 1.0 CB A:ASP186 4.5 11.9 1.0 C4 A:AKG402 4.7 20.0 1.0 N A:ASP186 4.8 11.8 1.0 CA A:ASP186 4.8 10.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with 2-Oxoglutarate


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 2-Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:12.8 occ:1.00 O2 B:AKG402 2.1 13.7 1.0 O B:HOH513 2.1 13.9 1.0 NE2 B:HIS184 2.1 16.2 1.0 O5 B:AKG402 2.1 13.9 1.0 OD1 B:ASP186 2.1 11.2 1.0 NE2 B:HIS239 2.2 13.4 1.0 C2 B:AKG402 2.7 19.3 1.0 C1 B:AKG402 2.7 25.4 1.0 CE1 B:HIS184 3.0 12.0 1.0 CD2 B:HIS239 3.0 10.8 1.0 CG B:ASP186 3.1 10.9 1.0 CD2 B:HIS184 3.2 10.3 1.0 CE1 B:HIS239 3.2 12.0 1.0 OD2 B:ASP186 3.3 12.5 1.0 O1 B:AKG402 4.0 22.7 1.0 O B:HOH579 4.0 25.5 1.0 ND1 B:HIS184 4.1 11.5 1.0 O B:HOH549 4.2 26.2 1.0 C3 B:AKG402 4.2 16.5 1.0 CG B:HIS239 4.2 13.6 1.0 CG B:HIS184 4.2 11.0 1.0 ND1 B:HIS239 4.3 11.4 1.0 CB B:ASP186 4.4 8.0 1.0 C4 B:AKG402 4.7 18.4 1.0 N B:ASP186 4.8 10.5 1.0 CA B:ASP186 4.8 11.3 1.0

M.-H.Wu, H.-Y.Lin, W.-C.Chang, T.-C.Chien, N.-L.Chan. Crystal Structure of Deoxypodophyllotoxin Synthase From Sinopodophyllum Hexandrum in Complex with 2-Oxoglutarate To Be Published.