Iron in PDB 5m0t: Alpha-Ketoglutarate-Dependent Non-Heme Iron Oxygenase Eash

The structure of Alpha-Ketoglutarate-Dependent Non-Heme Iron Oxygenase Eash, PDB code: 5m0t was solved by D.Jakubczyk, L.Caputi, C.E.M.Stevenson, D.M.Lawson, S.E.O'connor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.47 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.250, 100.170, 148.880, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 24.4

The structure of Alpha-Ketoglutarate-Dependent Non-Heme Iron Oxygenase Eash also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Iron atom in the Alpha-Ketoglutarate-Dependent Non-Heme Iron Oxygenase Eash (pdb code 5m0t). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Alpha-Ketoglutarate-Dependent Non-Heme Iron Oxygenase Eash, PDB code: 5m0t:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Alpha-Ketoglutarate-Dependent Non-Heme Iron Oxygenase Eash


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Alpha-Ketoglutarate-Dependent Non-Heme Iron Oxygenase Eash within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:30.4 occ:1.00 NE2 A:HIS209 1.9 35.1 1.0 NE2 A:HIS131 1.9 41.5 1.0 OE1 A:GLU133 2.0 37.4 1.0 O5 A:AKG302 2.0 37.4 1.0 O1 A:AKG302 2.0 43.4 1.0 C1 A:AKG302 2.6 48.8 1.0 C2 A:AKG302 2.6 51.1 1.0 CD A:GLU133 2.7 43.4 1.0 OE2 A:GLU133 2.7 49.1 1.0 CE1 A:HIS209 2.8 32.2 1.0 CE1 A:HIS131 2.9 36.9 1.0 CD2 A:HIS209 2.9 32.2 1.0 CD2 A:HIS131 3.0 36.9 1.0 O A:HOH413 3.7 39.8 1.0 O2 A:AKG302 3.9 57.1 1.0 ND1 A:HIS209 3.9 30.4 1.0 ND1 A:HIS131 4.0 37.1 1.0 CG A:HIS209 4.0 30.4 1.0 CG A:HIS131 4.1 37.3 1.0 C3 A:AKG302 4.1 44.7 1.0 CG A:GLU133 4.2 40.0 1.0 OE1 A:GLN128 4.6 35.8 1.0 C4 A:AKG302 4.8 38.0 1.0 CB A:GLU133 4.8 37.1 1.0 O A:HIS209 4.9 32.1 1.0

Iron binding site 2 out of 2 in the Alpha-Ketoglutarate-Dependent Non-Heme Iron Oxygenase Eash


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Alpha-Ketoglutarate-Dependent Non-Heme Iron Oxygenase Eash within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:34.8 occ:1.00 NE2 B:HIS209 1.9 36.3 1.0 NE2 B:HIS131 1.9 47.7 1.0 O5 B:AKG302 2.0 40.5 1.0 OE1 B:GLU133 2.0 41.7 1.0 O2 B:AKG302 2.0 47.6 1.0 C1 B:AKG302 2.6 56.5 1.0 C2 B:AKG302 2.6 51.2 1.0 CD B:GLU133 2.7 41.1 1.0 OE2 B:GLU133 2.7 46.1 1.0 CE1 B:HIS209 2.8 35.6 1.0 CE1 B:HIS131 2.9 41.5 1.0 CD2 B:HIS209 2.9 34.0 1.0 CD2 B:HIS131 2.9 41.2 1.0 O1 B:AKG302 3.8 50.9 1.0 ND1 B:HIS209 3.9 34.4 1.0 ND1 B:HIS131 4.0 41.9 1.0 CG B:HIS209 4.0 33.9 1.0 CG B:HIS131 4.0 40.9 1.0 C3 B:AKG302 4.1 51.9 1.0 O B:HOH443 4.1 55.1 1.0 CG B:GLU133 4.2 39.5 1.0 OE1 B:GLN128 4.6 39.2 1.0 C4 B:AKG302 4.7 50.3 1.0 CB B:GLU133 4.8 35.3 1.0 O B:HIS209 4.9 37.0 1.0

D.Jakubczyk, L.Caputi, C.E.Stevenson, D.M.Lawson, S.E.O'connor. Structural Characterization of Eash (Aspergillus Japonicus) - An Oxidase Involved in Cycloclavine Biosynthesis. Chem. Commun. (Camb.) V. 52 14306 2016.
ISSN: ESSN 1364-548X
PubMed: 27885368
DOI: 10.1039/C6CC08438A