Iron in PDB 5hyg: Cmli (Peroxo Bound State), Arylamine Oxygenase of Chloramphenicol Biosynthetic Pathway

The structure of Cmli (Peroxo Bound State), Arylamine Oxygenase of Chloramphenicol Biosynthetic Pathway, PDB code: 5hyg was solved by C.J.Knoot, J.D.Lipscomb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.00 / 2.03
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.539, 56.539, 150.474, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 25.1

The binding sites of Iron atom in the Cmli (Peroxo Bound State), Arylamine Oxygenase of Chloramphenicol Biosynthetic Pathway (pdb code 5hyg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cmli (Peroxo Bound State), Arylamine Oxygenase of Chloramphenicol Biosynthetic Pathway, PDB code: 5hyg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cmli (Peroxo Bound State), Arylamine Oxygenase of Chloramphenicol Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cmli (Peroxo Bound State), Arylamine Oxygenase of Chloramphenicol Biosynthetic Pathway within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:36.0 occ:1.00 O1 A:PEO404 1.8 41.2 0.7 OE2 A:GLU109 2.0 36.8 1.0 OE1 A:GLU236 2.2 32.4 1.0 OE2 A:GLU144 2.2 36.1 1.0 NE2 A:HIS232 2.2 28.9 1.0 ND1 A:HIS147 2.4 33.9 1.0 O2 A:PEO404 2.9 45.1 0.7 CD A:GLU109 3.0 38.9 1.0 CD A:GLU236 3.1 33.0 1.0 CE1 A:HIS232 3.1 31.8 1.0 CD2 A:HIS232 3.2 31.1 1.0 CE1 A:HIS147 3.2 31.8 1.0 CD A:GLU144 3.3 33.0 1.0 FE A:FE402 3.3 35.5 1.0 CG A:HIS147 3.4 33.1 1.0 OE1 A:GLU109 3.4 40.1 1.0 CB A:HIS147 3.7 31.1 1.0 OE1 A:GLU144 3.7 35.2 1.0 OE2 A:GLU236 3.8 31.3 1.0 CG A:GLU236 4.0 34.7 1.0 ND1 A:HIS232 4.3 30.6 1.0 CG A:HIS232 4.3 30.9 1.0 CG A:GLU109 4.3 34.4 1.0 CA A:GLU144 4.4 27.7 1.0 NE2 A:HIS147 4.4 32.6 1.0 CD2 A:HIS147 4.5 32.7 1.0 ND1 A:HIS239 4.5 27.0 1.0 CE1 A:HIS239 4.5 26.9 1.0 CG A:GLU144 4.6 31.3 1.0 CB A:GLU144 4.8 29.9 1.0 N A:GLU144 5.0 27.8 1.0

Iron binding site 2 out of 2 in the Cmli (Peroxo Bound State), Arylamine Oxygenase of Chloramphenicol Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cmli (Peroxo Bound State), Arylamine Oxygenase of Chloramphenicol Biosynthetic Pathway within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:35.5 occ:1.00 OE2 A:GLU205 1.9 43.1 1.0 O2 A:PEO404 2.0 45.1 0.7 OE1 A:GLU144 2.1 35.2 1.0 OE2 A:GLU236 2.1 31.3 1.0 ND1 A:HIS239 2.2 27.0 1.0 OE1 A:GLU236 2.6 32.4 1.0 CD A:GLU236 2.7 33.0 1.0 O1 A:PEO404 2.8 41.2 0.7 CD A:GLU144 2.8 33.0 1.0 CD A:GLU205 2.8 46.8 1.0 OE2 A:GLU144 2.9 36.1 1.0 CE1 A:HIS239 3.2 26.9 1.0 OE1 A:GLU205 3.2 54.8 1.0 CG A:HIS239 3.2 28.4 1.0 FE A:FE401 3.3 36.0 1.0 CB A:HIS239 3.5 30.1 1.0 CG A:GLU205 4.2 43.1 1.0 CG A:GLU236 4.2 34.7 1.0 CG A:GLU144 4.3 31.3 1.0 NE2 A:HIS239 4.3 26.5 1.0 OE1 A:GLU109 4.3 40.1 1.0 CD2 A:HIS239 4.3 28.0 1.0 OE2 A:GLU109 4.6 36.8 1.0 CB A:GLU205 4.8 38.9 1.0 CA A:GLU205 4.9 35.2 1.0 CG2 A:ILE208 4.9 35.1 1.0 CD A:GLU109 4.9 38.9 1.0 CE2 A:PHE117 4.9 31.3 1.0 ND1 A:HIS147 4.9 33.9 1.0 CB A:GLU236 5.0 34.0 1.0

C.J.Knoot, E.G.Kovaleva, J.D.Lipscomb. Crystal Structure of Cmli, the Arylamine Oxygenase From the Chloramphenicol Biosynthetic Pathway. J.Biol.Inorg.Chem. V. 21 589 2016.
ISSN: ESSN 1432-1327
PubMed: 27229511
DOI: 10.1007/S00775-016-1363-X