Iron in PDB 2bl4: 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: 2bl4 was solved by C.Montella, L.Bellsolell, R.Perez-Luque, J.Badia, L.Baldoma, 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 (%)	25.1 / 30.3

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 2bl4). 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: 2bl4:
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:41.3 occ:1.00 OD1 A:ASP196 2.0 42.2 1.0 C5N A:NAD1385 2.1 47.8 1.0 NE2 A:HIS263 2.1 43.5 1.0 NE2 A:HIS277 2.1 44.1 1.0 NE2 A:HIS200 2.1 40.2 1.0 C4N A:NAD1385 2.3 46.9 1.0 CG A:ASP196 2.9 40.0 1.0 CE1 A:HIS263 2.9 44.4 1.0 CE1 A:HIS277 3.0 45.1 1.0 CE1 A:HIS200 3.0 40.0 1.0 OD2 A:ASP196 3.1 42.4 1.0 C6N A:NAD1385 3.1 49.4 1.0 CD2 A:HIS200 3.1 39.2 1.0 CD2 A:HIS277 3.1 42.6 1.0 CD2 A:HIS263 3.2 43.5 1.0 C3N A:NAD1385 3.4 49.1 1.0 OD1 A:ASN281 3.7 44.0 1.0 N1N A:NAD1385 4.0 50.2 1.0 ND1 A:HIS263 4.1 43.2 1.0 C2N A:NAD1385 4.1 51.0 1.0 ND1 A:HIS277 4.1 44.0 1.0 ND1 A:HIS200 4.1 40.9 1.0 CG A:HIS200 4.2 39.2 1.0 CG A:HIS277 4.2 42.5 1.0 CG A:HIS263 4.3 41.7 1.0 CB A:ASP196 4.4 38.6 1.0 O A:ASP196 4.4 37.9 1.0 C7N A:NAD1385 4.5 48.7 1.0 O7N A:NAD1385 4.9 48.0 1.0 C A:ASP196 4.9 37.7 1.0 CA A:ASP196 4.9 38.1 1.0 CG A:ASN281 4.9 40.1 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:37.1 occ:1.00 NE2 B:HIS1277 1.9 38.5 1.0 OD1 B:ASP1196 2.0 31.1 1.0 NE2 B:HIS1200 2.1 33.9 1.0 NE2 B:HIS1263 2.2 38.7 1.0 C4N B:NAD2385 2.3 51.6 1.0 C5N B:NAD2385 2.4 50.7 1.0 CG B:ASP1196 2.8 33.7 1.0 CD2 B:HIS1277 2.8 39.8 1.0 OD2 B:ASP1196 2.8 34.0 1.0 CE1 B:HIS1200 2.9 36.0 1.0 CE1 B:HIS1277 2.9 39.8 1.0 CD2 B:HIS1263 3.1 38.8 1.0 CE1 B:HIS1263 3.2 39.8 1.0 CD2 B:HIS1200 3.2 33.8 1.0 C3N B:NAD2385 3.2 53.8 1.0 C6N B:NAD2385 3.4 53.9 1.0 OD1 B:ASN1281 3.6 39.9 1.0 CG B:HIS1277 3.9 38.9 1.0 ND1 B:HIS1277 4.0 40.8 1.0 C2N B:NAD2385 4.0 55.9 1.0 ND1 B:HIS1200 4.1 35.3 1.0 N1N B:NAD2385 4.1 54.3 1.0 CB B:ASP1196 4.2 32.7 1.0 CG B:HIS1263 4.2 37.8 1.0 CG B:HIS1200 4.3 34.5 1.0 ND1 B:HIS1263 4.3 36.8 1.0 C7N B:NAD2385 4.4 53.4 1.0 O7N B:NAD2385 4.6 52.3 1.0 O B:ASP1196 4.6 31.4 1.0 CG B:ASN1281 4.7 36.6 1.0 CA B:ASP1196 4.9 32.3 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