Iron in PDB 5foi: Crystal Structure of Mycinamicin VIII C21 Methyl Hydroxylase Mycci From Micromonospora Griseorubida Bound to Mycinamicin VIII

The structure of Crystal Structure of Mycinamicin VIII C21 Methyl Hydroxylase Mycci From Micromonospora Griseorubida Bound to Mycinamicin VIII, PDB code: 5foi was solved by M.Demars, F.Sheng, L.M.Podust, D.H.Sherman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.00 / 2.21
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.781, 59.516, 74.623, 83.20, 72.15, 62.61
R / Rfree (%)	18.227 / 25.15

The binding sites of Iron atom in the Crystal Structure of Mycinamicin VIII C21 Methyl Hydroxylase Mycci From Micromonospora Griseorubida Bound to Mycinamicin VIII (pdb code 5foi). 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 Mycinamicin VIII C21 Methyl Hydroxylase Mycci From Micromonospora Griseorubida Bound to Mycinamicin VIII, PDB code: 5foi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Mycinamicin VIII C21 Methyl Hydroxylase Mycci From Micromonospora Griseorubida Bound to Mycinamicin VIII


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 Mycinamicin VIII C21 Methyl Hydroxylase Mycci From Micromonospora Griseorubida Bound to Mycinamicin VIII within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe413 b:16.6 occ:1.00 FE A:HEM413 0.0 16.6 1.0 ND A:HEM413 1.9 18.6 1.0 NA A:HEM413 2.0 17.1 1.0 NB A:HEM413 2.1 18.1 1.0 SG A:CYS337 2.1 20.0 1.0 NC A:HEM413 2.1 17.8 1.0 C4D A:HEM413 2.9 17.5 1.0 C1D A:HEM413 2.9 18.5 1.0 C4B A:HEM413 3.0 17.5 1.0 C1A A:HEM413 3.0 15.2 1.0 C4A A:HEM413 3.0 16.1 1.0 C1B A:HEM413 3.1 17.5 1.0 C1C A:HEM413 3.1 16.7 1.0 C4C A:HEM413 3.1 17.9 1.0 CB A:CYS337 3.4 19.5 1.0 CHA A:HEM413 3.4 16.0 1.0 CHC A:HEM413 3.4 17.2 1.0 CHD A:HEM413 3.4 17.7 1.0 CHB A:HEM413 3.5 16.0 1.0 CA A:CYS337 4.1 18.9 1.0 C5 A:MY8414 4.2 19.3 1.0 C2D A:HEM413 4.2 18.2 1.0 C3D A:HEM413 4.2 17.0 1.0 C3A A:HEM413 4.2 15.8 1.0 C2A A:HEM413 4.2 15.2 1.0 C3B A:HEM413 4.3 18.2 1.0 C2B A:HEM413 4.3 18.1 1.0 C2C A:HEM413 4.3 17.1 1.0 C3C A:HEM413 4.3 18.2 1.0 N A:GLY339 4.7 16.5 1.0 C A:CYS337 4.8 17.7 1.0 CB A:ALA227 4.8 21.4 1.0 N A:LEU338 4.9 18.1 1.0 CD1 A:PHE330 5.0 15.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Mycinamicin VIII C21 Methyl Hydroxylase Mycci From Micromonospora Griseorubida Bound to Mycinamicin VIII


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 Mycinamicin VIII C21 Methyl Hydroxylase Mycci From Micromonospora Griseorubida Bound to Mycinamicin VIII within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe413 b:16.1 occ:1.00 FE B:HEM413 0.0 16.1 1.0 ND B:HEM413 1.9 17.0 1.0 NA B:HEM413 2.0 18.4 1.0 NB B:HEM413 2.1 16.4 1.0 NC B:HEM413 2.1 16.4 1.0 SG B:CYS337 2.4 14.3 1.0 C4D B:HEM413 2.9 16.9 1.0 C1D B:HEM413 2.9 17.2 1.0 C4B B:HEM413 3.0 17.2 1.0 C1B B:HEM413 3.1 17.7 1.0 C1A B:HEM413 3.1 17.7 1.0 C4A B:HEM413 3.1 16.7 1.0 C4C B:HEM413 3.1 18.3 1.0 C1C B:HEM413 3.1 17.4 1.0 CHD B:HEM413 3.4 18.4 1.0 CHA B:HEM413 3.4 17.5 1.0 CHC B:HEM413 3.4 16.9 1.0 CHB B:HEM413 3.5 17.4 1.0 CB B:CYS337 3.5 15.6 1.0 C5 B:MY8414 4.0 23.5 1.0 CA B:CYS337 4.1 15.7 1.0 C2D B:HEM413 4.1 17.5 1.0 C3D B:HEM413 4.1 17.0 1.0 C3A B:HEM413 4.2 17.1 1.0 C2A B:HEM413 4.3 17.2 1.0 C3B B:HEM413 4.3 18.4 1.0 C2B B:HEM413 4.3 17.9 1.0 C2C B:HEM413 4.3 18.6 1.0 C3C B:HEM413 4.3 18.9 1.0 CB B:ALA227 4.7 24.1 1.0 C B:CYS337 4.8 16.0 1.0 N B:LEU338 4.9 16.7 1.0 N B:GLY339 4.9 16.1 1.0 CG2 B:THR231 5.0 30.3 1.0

M.D.Demars, F.Sheng, S.R.Park, A.N.Lowell, L.M.Podust, D.H.Sherman. Biochemical and Structural Characterization of Mycci, A Versatile P450 Biocatalyst From the Mycinamicin Biosynthetic Pathway. Acs Chem.Biol. V. 11 2642 2016.
ISSN: ISSN 1554-8929
PubMed: 27420774
DOI: 10.1021/ACSCHEMBIO.6B00479