Iron in PDB 2bi4: Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli

All present enzymatic activity of Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli:
1.1.1.77;

The structure of Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli, PDB code: 2bi4 was solved by C.Montella, L.Bellsolell, J.Badia, L.Baldoma, R.Perez, M.Coll, J.Aguilar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.00 / 2.85
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.422, 109.422, 182.459, 90.00, 90.00, 120.00
R / Rfree (%)	25.761 / 28.724

The structure of Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli (pdb code 2bi4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli, PDB code: 2bi4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1384 b:43.9 occ:1.00 NE2 A:HIS277 1.9 54.0 1.0 NE2 A:HIS200 1.9 50.6 1.0 NE2 A:HIS263 2.1 55.2 1.0 OD1 A:ASP196 2.1 46.9 1.0 C5N A:NAD1385 2.4 58.6 1.0 C4N A:NAD1385 2.5 58.0 1.0 CE1 A:HIS263 2.8 55.3 1.0 CE1 A:HIS200 2.8 51.1 1.0 CG A:ASP196 2.9 48.7 1.0 CD2 A:HIS277 2.9 52.7 1.0 CE1 A:HIS277 2.9 54.8 1.0 OD2 A:ASP196 3.0 49.1 1.0 CD2 A:HIS200 3.0 48.2 1.0 CD2 A:HIS263 3.2 54.5 1.0 C6N A:NAD1385 3.3 58.2 1.0 C3N A:NAD1385 3.6 58.7 1.0 OD1 A:ASN281 3.7 54.8 1.0 ND1 A:HIS200 4.0 50.0 1.0 ND1 A:HIS263 4.0 53.8 1.0 CG A:HIS277 4.0 52.1 1.0 ND1 A:HIS277 4.0 53.0 1.0 CG A:HIS200 4.1 47.8 1.0 N1N A:NAD1385 4.1 59.9 1.0 CG A:HIS263 4.2 53.8 1.0 C2N A:NAD1385 4.3 60.4 1.0 CB A:ASP196 4.3 48.3 1.0 O7N A:NAD1385 4.5 58.5 1.0 C7N A:NAD1385 4.5 58.2 1.0 O A:ASP196 4.6 44.0 1.0 CG A:ASN281 4.9 51.4 1.0 CA A:ASP196 4.9 47.4 1.0 C A:ASP196 4.9 45.8 1.0

Iron binding site 2 out of 2 in the Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Lactaldehyde:1,2-Propanediol Oxidoreductase of Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2384 b:46.8 occ:1.00 NE2 B:HIS1277 1.7 43.4 1.0 NE2 B:HIS1200 2.0 42.0 1.0 OD1 B:ASP1196 2.0 43.5 1.0 NE2 B:HIS1263 2.2 53.3 1.0 C5N B:NAD2385 2.4 63.5 1.0 C4N B:NAD2385 2.4 62.5 1.0 CD2 B:HIS1277 2.6 44.4 1.0 CE1 B:HIS1277 2.7 43.8 1.0 CG B:ASP1196 2.8 42.5 1.0 CE1 B:HIS1200 2.9 42.8 1.0 OD2 B:ASP1196 2.9 42.4 1.0 CE1 B:HIS1263 2.9 53.4 1.0 CD2 B:HIS1200 3.2 41.2 1.0 CD2 B:HIS1263 3.3 51.8 1.0 C6N B:NAD2385 3.5 63.8 1.0 OD1 B:ASN1281 3.5 55.4 1.0 C3N B:NAD2385 3.5 61.8 1.0 ND1 B:HIS1277 3.8 43.4 1.0 CG B:HIS1277 3.8 45.1 1.0 ND1 B:HIS1200 4.1 41.1 1.0 ND1 B:HIS1263 4.1 52.6 1.0 CG B:HIS1200 4.2 41.4 1.0 CB B:ASP1196 4.3 41.1 1.0 O7N B:NAD2385 4.3 58.5 1.0 N1N B:NAD2385 4.3 62.8 1.0 C2N B:NAD2385 4.3 62.7 1.0 CG B:HIS1263 4.4 52.6 1.0 C7N B:NAD2385 4.4 60.4 1.0 O B:ASP1196 4.6 37.5 1.0 CG B:ASN1281 4.7 53.9 1.0 CA B:ASP1196 4.9 39.4 1.0 C B:ASP1196 5.0 39.0 1.0

C.Montella, L.Bellsolell, R.Perez-Luque, J.Badia, L.Baldoma, M.Coll, J.Aguilar. Crystal Structure of An Iron-Dependent Group III Dehydrogenase That Interconverts L-Lactaldehyde and L-1,2-Propanediol in Escherichia Coli J.Bacteriol. V. 187 4957 2005.
ISSN: ISSN 0021-9193
PubMed: 15995211
DOI: 10.1128/JB.187.14.4957-4966.2005