Iron in PDB 111m: Sperm Whale Myoglobin D122N N-Butyl Isocyanide at pH 9.0

The structure of Sperm Whale Myoglobin D122N N-Butyl Isocyanide at pH 9.0, PDB code: 111m was solved by R.D.Smith, J.S.Olson, G.N.Phillips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 1.88
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	91.543, 91.543, 45.745, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 22.2

The binding sites of Iron atom in the Sperm Whale Myoglobin D122N N-Butyl Isocyanide at pH 9.0 (pdb code 111m). 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 Sperm Whale Myoglobin D122N N-Butyl Isocyanide at pH 9.0, PDB code: 111m:

Iron binding site 1 out of 1 in the Sperm Whale Myoglobin D122N N-Butyl Isocyanide at pH 9.0


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sperm Whale Myoglobin D122N N-Butyl Isocyanide at pH 9.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe155 b:20.1 occ:1.00 FE A:HEM155 0.0 20.1 1.0 NA A:HEM155 1.9 19.5 1.0 NB A:HEM155 1.9 18.6 1.0 NC A:HEM155 2.0 19.3 1.0 C A:NBN156 2.1 20.0 0.5 ND A:HEM155 2.1 21.0 1.0 NE2 A:HIS93 2.2 17.9 1.0 C4A A:HEM155 2.9 19.4 1.0 C1B A:HEM155 2.9 18.2 1.0 C4B A:HEM155 3.0 18.3 1.0 C1C A:HEM155 3.0 19.0 1.0 C1A A:HEM155 3.0 20.9 1.0 CD2 A:HIS93 3.1 18.7 1.0 C4C A:HEM155 3.1 19.8 1.0 C4D A:HEM155 3.1 21.5 1.0 N A:NBN156 3.2 20.8 0.5 C1D A:HEM155 3.2 20.8 1.0 CE1 A:HIS93 3.2 22.0 1.0 CHB A:HEM155 3.2 18.6 1.0 CHC A:HEM155 3.4 18.6 1.0 CHA A:HEM155 3.5 21.1 1.0 CHD A:HEM155 3.5 20.2 1.0 C3A A:HEM155 4.2 19.9 1.0 C2B A:HEM155 4.2 18.5 1.0 C3B A:HEM155 4.2 18.5 1.0 C2A A:HEM155 4.3 20.7 1.0 CG A:HIS93 4.3 15.6 1.0 ND1 A:HIS93 4.3 19.4 1.0 C2C A:HEM155 4.3 19.5 1.0 C3C A:HEM155 4.3 20.3 1.0 C3D A:HEM155 4.4 22.4 1.0 C2D A:HEM155 4.4 21.6 1.0 C1 A:NBN156 4.4 21.2 0.5 C2 A:NBN156 4.6 22.0 0.5 NE2 A:HIS64 4.6 38.2 1.0 CG2 A:VAL68 4.8 19.2 1.0 C4 A:NBN156 4.9 23.6 0.5

R.D.Smith, R.D.Smith, J.S.Olson, G.N.Phillips Jr.. N/A N/A.