Iron in PDB 5ojc: Structure of MBQ2.1 Nmh

The structure of Structure of MBQ2.1 Nmh, PDB code: 5ojc was solved by T.Hayashi, M.Pott, T.Mori, P.Mittl, A.Green, D.Hivert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.19 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.532, 51.800, 39.660, 90.00, 98.82, 90.00
R / Rfree (%)	19.3 / 21.5

The binding sites of Iron atom in the Structure of MBQ2.1 Nmh (pdb code 5ojc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Structure of MBQ2.1 Nmh, PDB code: 5ojc:

Iron binding site 1 out of 1 in the Structure of MBQ2.1 Nmh


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of MBQ2.1 Nmh within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:15.7 occ:1.00 FE A:HEM201 0.0 15.7 1.0 ND A:HEM201 2.0 16.6 1.0 NA A:HEM201 2.0 17.1 1.0 NB A:HEM201 2.0 15.8 1.0 NC A:HEM201 2.1 15.4 1.0 NE2 A:MHS93 2.1 15.7 1.0 N1 A:IMD202 2.1 19.0 1.0 C4A A:HEM201 3.0 17.5 1.0 C2 A:IMD202 3.0 17.0 1.0 C1D A:HEM201 3.0 16.4 1.0 CE1 A:MHS93 3.0 14.8 1.0 C4D A:HEM201 3.0 15.2 1.0 C1B A:HEM201 3.0 16.1 1.0 C4C A:HEM201 3.1 15.2 1.0 C1A A:HEM201 3.1 16.8 1.0 C1C A:HEM201 3.1 15.3 1.0 C4B A:HEM201 3.1 14.8 1.0 CD2 A:MHS93 3.1 15.9 1.0 C5 A:IMD202 3.1 20.4 1.0 CHB A:HEM201 3.4 17.0 1.0 CHD A:HEM201 3.4 16.4 1.0 CHA A:HEM201 3.4 17.6 1.0 CHC A:HEM201 3.4 15.2 1.0 N3 A:IMD202 4.2 18.7 1.0 ND1 A:MHS93 4.2 14.4 1.0 C3A A:HEM201 4.2 19.5 1.0 C2D A:HEM201 4.2 17.2 1.0 C4 A:IMD202 4.2 16.9 1.0 C3D A:HEM201 4.2 17.5 1.0 C2A A:HEM201 4.3 20.5 1.0 C3C A:HEM201 4.3 16.3 1.0 C2C A:HEM201 4.3 16.1 1.0 CG A:MHS93 4.3 16.1 1.0 C2B A:HEM201 4.3 16.3 1.0 C3B A:HEM201 4.3 15.7 1.0 CD1 A:LEU89 4.9 21.4 1.0

M.Pott, T.Hayashi, T.Mori, P.R.E.Mittl, A.P.Green, D.Hilvert. A Noncanonical Proximal Heme Ligand Affords An Efficient Peroxidase in A Globin Fold. J. Am. Chem. Soc. V. 140 1535 2018.
ISSN: ESSN 1520-5126
PubMed: 29309143
DOI: 10.1021/JACS.7B12621