Iron in PDB 5oja: Structure of Mbq

The structure of Structure of Mbq, PDB code: 5oja 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)	38.96 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.130, 51.900, 39.350, 90.00, 98.06, 90.00
R / Rfree (%)	18.5 / 20.7

The binding sites of Iron atom in the Structure of Mbq (pdb code 5oja). 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 Mbq, PDB code: 5oja:

Iron binding site 1 out of 1 in the Structure of Mbq


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Mbq within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:16.5 occ:1.00 FE A:HEM202 0.0 16.5 1.0 ND A:HEM202 2.0 16.1 1.0 NC A:HEM202 2.0 15.5 1.0 NA A:HEM202 2.0 17.1 1.0 NB A:HEM202 2.0 16.7 1.0 NE2 A:HIS93 2.1 19.4 1.0 N1 A:IMD201 2.1 18.4 1.0 C1C A:HEM202 3.0 16.2 1.0 C4D A:HEM202 3.0 16.0 1.0 C1A A:HEM202 3.0 18.6 1.0 C1D A:HEM202 3.0 17.8 1.0 C1B A:HEM202 3.0 17.1 1.0 C4C A:HEM202 3.0 17.6 1.0 C4B A:HEM202 3.0 18.1 1.0 CE1 A:HIS93 3.1 18.6 1.0 C4A A:HEM202 3.1 17.4 1.0 C2 A:IMD201 3.1 18.2 1.0 CD2 A:HIS93 3.1 17.3 1.0 C5 A:IMD201 3.1 17.7 1.0 CHA A:HEM202 3.4 17.3 1.0 CHC A:HEM202 3.4 16.9 1.0 CHD A:HEM202 3.4 16.0 1.0 CHB A:HEM202 3.4 17.1 1.0 ND1 A:HIS93 4.2 19.6 1.0 N3 A:IMD201 4.2 17.4 1.0 CG A:HIS93 4.2 17.7 1.0 C2D A:HEM202 4.2 17.4 1.0 C2C A:HEM202 4.3 17.0 1.0 C3D A:HEM202 4.3 19.5 1.0 C2B A:HEM202 4.3 16.5 1.0 C3C A:HEM202 4.3 18.1 1.0 C3B A:HEM202 4.3 16.3 1.0 C4 A:IMD201 4.3 17.8 1.0 C2A A:HEM202 4.3 19.9 1.0 C3A A:HEM202 4.3 19.2 1.0 CD2 A:HIS97 5.0 20.0 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