Iron in PDB 8ess: Myoglobin Variant Mb-Ciii Complex

The structure of Myoglobin Variant Mb-Ciii Complex, PDB code: 8ess 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)	39.34 / 1.40
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.701, 90.701, 45.451, 90, 90, 120
R / Rfree (%)	15.2 / 17.8

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

Iron binding site 1 out of 1 in the Myoglobin Variant Mb-Ciii 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-Ciii Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe205 b:16.9 occ:1.00 FE A:WRK205 0.0 16.9 1.0 NB A:WRK205 2.0 14.7 1.0 NC A:WRK205 2.1 17.1 1.0 NE2 A:HIS93 2.1 15.5 1.0 NA A:WRK205 2.1 18.3 1.0 ND A:WRK205 2.5 19.5 1.0 C40 A:WRK205 2.7 20.4 1.0 CE1 A:HIS93 3.0 19.6 1.0 C1B A:WRK205 3.0 14.6 1.0 C4B A:WRK205 3.0 14.8 1.0 C1C A:WRK205 3.1 16.6 1.0 C4C A:WRK205 3.1 18.8 1.0 C4A A:WRK205 3.1 16.4 1.0 C1A A:WRK205 3.2 18.0 1.0 CD2 A:HIS93 3.2 16.2 1.0 C1D A:WRK205 3.2 20.9 1.0 C4D A:WRK205 3.2 19.4 1.0 CHB A:WRK205 3.4 15.9 1.0 CHC A:WRK205 3.4 17.4 1.0 CHA A:WRK205 3.5 19.8 1.0 CHD A:WRK205 3.5 19.7 1.0 ND1 A:HIS93 4.2 19.6 1.0 C3D A:WRK205 4.2 27.1 1.0 C2D A:WRK205 4.2 25.5 1.0 C3B A:WRK205 4.3 14.5 1.0 CG A:HIS93 4.3 16.6 1.0 C41 A:WRK205 4.3 23.5 1.0 C2B A:WRK205 4.3 14.9 1.0 C3C A:WRK205 4.3 17.7 1.0 C3A A:WRK205 4.3 16.3 1.0 C2C A:WRK205 4.3 16.3 1.0 C2A A:WRK205 4.4 16.4 1.0 O A:HOH419 4.8 23.9 1.0 C45 A:WRK205 4.8 22.5 1.0 CD1 A:LEU89 4.9 21.6 1.0 O1 A:WRK205 5.0 28.1 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