Iron in PDB 8esu: Myoglobin Variant Mb-Imi Complex

The structure of Myoglobin Variant Mb-Imi Complex, PDB code: 8esu was solved by J.P.Bacik, R.Fasan, N.Ando, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.31 / 1.04
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.425, 90.425, 45.442, 90, 90, 120
R / Rfree (%)	12.8 / 14.1

The binding sites of Iron atom in the Myoglobin Variant Mb-Imi Complex (pdb code 8esu). 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 Myoglobin Variant Mb-Imi Complex, PDB code: 8esu:

Iron binding site 1 out of 1 in the Myoglobin Variant Mb-Imi Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Myoglobin Variant Mb-Imi Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.5 occ:1.00 FE A:HEM201 0.0 7.5 1.0 NB A:HEM201 2.0 7.3 1.0 ND A:HEM201 2.0 8.9 1.0 NA A:HEM201 2.0 8.1 1.0 NC A:HEM201 2.0 8.1 1.0 N1 A:IMD202 2.1 9.8 1.0 NE2 A:HIS93 2.1 8.2 1.0 C2 A:IMD202 3.0 15.9 1.0 CE1 A:HIS93 3.0 8.9 1.0 C1B A:HEM201 3.0 7.2 1.0 C1D A:HEM201 3.0 9.2 1.0 C4B A:HEM201 3.0 7.6 1.0 C4A A:HEM201 3.0 7.7 1.0 C4C A:HEM201 3.0 8.6 1.0 C4D A:HEM201 3.1 9.2 1.0 C1A A:HEM201 3.1 8.7 1.0 C5 A:IMD202 3.1 12.0 1.0 C1C A:HEM201 3.1 8.1 1.0 CD2 A:HIS93 3.1 8.0 1.0 CHD A:HEM201 3.4 9.1 1.0 CHB A:HEM201 3.4 7.2 1.0 CHC A:HEM201 3.4 7.9 1.0 CHA A:HEM201 3.4 8.8 1.0 ND1 A:HIS93 4.2 9.2 1.0 N3 A:IMD202 4.2 16.0 1.0 C4 A:IMD202 4.2 12.9 1.0 CG A:HIS93 4.2 8.0 1.0 C2D A:HEM201 4.3 10.3 1.0 C2B A:HEM201 4.3 7.2 1.0 C3B A:HEM201 4.3 7.5 1.0 C3A A:HEM201 4.3 7.9 1.0 C2A A:HEM201 4.3 8.8 1.0 C3C A:HEM201 4.3 8.9 1.0 C3D A:HEM201 4.3 10.7 1.0 C2C A:HEM201 4.3 8.9 1.0

D.Nam, J.P.Bacik, R.L.Khade, M.C.Aguilera, Y.Wei, J.D.Villada, M.L.Neidig, Y.Zhang, N.Ando, R.Fasan. Mechanistic Manifold in A Hemoprotein-Catalyzed Cyclopropanation Reaction with Diazoketone. Nat Commun V. 14 7985 2023.
ISSN: ESSN 2041-1723
PubMed: 38042860
DOI: 10.1038/S41467-023-43559-7