Iron in PDB 30sm: Crystal Structure of A Omega-Hydroxyacid Iron-Containing Dehydrogenase

The structure of Crystal Structure of A Omega-Hydroxyacid Iron-Containing Dehydrogenase, PDB code: 30sm was solved by B.M.Martins, T.Begic, A.J.Pierik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.85 / 1.73
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	116.66, 116.66, 120.15, 90, 90, 120
R / Rfree (%)	17.6 / 19.9

The binding sites of Iron atom in the Crystal Structure of A Omega-Hydroxyacid Iron-Containing Dehydrogenase (pdb code 30sm). 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 A Omega-Hydroxyacid Iron-Containing Dehydrogenase, PDB code: 30sm:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A Omega-Hydroxyacid Iron-Containing Dehydrogenase


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 A Omega-Hydroxyacid Iron-Containing Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:12.9 occ:1.00 OD1 A:ASP183 2.0 15.6 1.0 NE2 A:HIS187 2.1 12.5 1.0 NE2 A:HIS254 2.1 12.4 1.0 NE2 A:HIS268 2.1 16.9 1.0 CG A:ASP183 2.7 13.6 1.0 OD2 A:ASP183 2.7 15.2 1.0 CD2 A:HIS268 3.0 14.9 1.0 CE1 A:HIS187 3.0 13.7 1.0 CD2 A:HIS187 3.0 11.0 1.0 CD2 A:HIS254 3.1 14.2 1.0 CE1 A:HIS254 3.1 11.2 1.0 CE1 A:HIS268 3.1 15.7 1.0 H5N A:NAD401 3.2 20.8 1.0 ND2 A:ASN272 3.7 13.9 1.0 HGC1 A:GBL403 4.0 36.3 0.5 C5N A:NAD401 4.1 17.4 1.0 ND1 A:HIS187 4.1 12.7 1.0 CG A:HIS187 4.1 13.4 1.0 CG A:HIS268 4.2 14.1 1.0 CB A:ASP183 4.2 14.7 1.0 ND1 A:HIS254 4.2 9.9 1.0 ND1 A:HIS268 4.2 14.5 1.0 CG A:HIS254 4.2 11.7 1.0 CG A:ASN272 4.2 15.2 1.0 HAC2 A:GBL403 4.4 36.5 0.5 H6N A:NAD401 4.4 22.1 1.0 HBC1 A:GBL403 4.4 36.5 0.5 O A:ASP183 4.5 12.2 1.0 HAC1 A:GBL403 4.6 36.5 0.5 C6N A:NAD401 4.6 18.4 1.0 CA A:ASP183 4.8 13.7 1.0 OD1 A:ASN272 4.8 16.1 1.0 CB A:ASN272 4.8 11.3 1.0 CG A:GBL403 4.9 30.3 0.5 C A:ASP183 4.9 12.2 1.0 CA A:GBL403 4.9 30.4 0.5

Iron binding site 2 out of 2 in the Crystal Structure of A Omega-Hydroxyacid Iron-Containing Dehydrogenase


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 A Omega-Hydroxyacid Iron-Containing Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:19.3 occ:1.00 OD1 B:ASP183 1.9 18.8 1.0 NE2 B:HIS187 2.1 20.5 1.0 NE2 B:HIS254 2.1 23.0 1.0 NE2 B:HIS268 2.1 20.1 1.0 CG B:ASP183 2.7 20.0 1.0 OD2 B:ASP183 2.8 23.4 1.0 CD2 B:HIS187 3.0 17.5 1.0 CE1 B:HIS254 3.0 23.3 1.0 CE1 B:HIS187 3.0 17.7 1.0 CD2 B:HIS268 3.0 19.4 1.0 CE1 B:HIS268 3.1 21.4 1.0 CD2 B:HIS254 3.1 21.6 1.0 H5N B:NAD502 3.5 25.8 1.0 ND2 B:ASN272 3.7 24.7 1.0 ND1 B:HIS187 4.1 19.8 1.0 CG B:HIS187 4.1 19.6 1.0 CG B:ASN272 4.1 24.3 1.0 ND1 B:HIS254 4.1 21.7 1.0 CG B:HIS268 4.2 21.8 1.0 ND1 B:HIS268 4.2 20.6 1.0 CB B:ASP183 4.2 21.7 1.0 CG B:HIS254 4.2 25.9 1.0 C5N B:NAD502 4.4 21.5 1.0 O B:ASP183 4.4 16.1 1.0 OD1 B:ASN272 4.7 24.3 1.0 H6N B:NAD502 4.7 28.7 1.0 CB B:ASN272 4.7 22.3 1.0 CA B:ASP183 4.8 21.1 1.0 C B:ASP183 4.9 15.5 1.0 C6N B:NAD502 4.9 23.9 1.0 SG B:CYS250 5.0 23.7 1.0

T.Begic, J.Hill, J.L.Stitzel, L.Knauer, V.Schuenemann, M.Raschle, B.M.Martins, A.J.Pierik. Omega-Hydroxyacid Dehydrogenases From Clostridium Viride Iron-Containing Biocatalysts with Biotechnological Potential Chembiochem 2026.
ISSN: ESSN 1439-7633
DOI: 10.1002/CBIC.70511