Iron in PDB 5iks: Wild-Type Sperm Whale Myoglobin with A Fe-Phenyl Moiety

The structure of Wild-Type Sperm Whale Myoglobin with A Fe-Phenyl Moiety, PDB code: 5iks was solved by B.Wang, L.M.Thomas, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.28 / 1.87
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.484, 30.152, 64.463, 90.00, 105.16, 90.00
R / Rfree (%)	21.3 / 27.8

The binding sites of Iron atom in the Wild-Type Sperm Whale Myoglobin with A Fe-Phenyl Moiety (pdb code 5iks). 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 Wild-Type Sperm Whale Myoglobin with A Fe-Phenyl Moiety, PDB code: 5iks:

Iron binding site 1 out of 1 in the Wild-Type Sperm Whale Myoglobin with A Fe-Phenyl Moiety


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Wild-Type Sperm Whale Myoglobin with A Fe-Phenyl Moiety within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:22.9 occ:1.00 FE A:6CO201 0.0 22.9 1.0 C1 A:6CO201 1.9 23.4 1.0 NB A:6CO201 2.1 22.8 1.0 NA A:6CO201 2.1 23.5 1.0 ND A:6CO201 2.1 23.2 1.0 NC A:6CO201 2.1 22.8 1.0 NE2 A:HIS93 2.3 22.9 1.0 C6 A:6CO201 2.8 23.4 1.0 C2 A:6CO201 2.9 23.7 1.0 C1A A:6CO201 3.0 23.9 1.0 C4D A:6CO201 3.1 23.7 1.0 C4A A:6CO201 3.1 23.5 1.0 C1B A:6CO201 3.1 23.0 1.0 C4C A:6CO201 3.1 23.0 1.0 C1C A:6CO201 3.1 22.6 1.0 C4B A:6CO201 3.1 23.0 1.0 C1D A:6CO201 3.2 23.5 1.0 CD2 A:HIS93 3.3 22.7 1.0 CE1 A:HIS93 3.3 22.8 1.0 CHA A:6CO201 3.5 23.9 1.0 CHB A:6CO201 3.5 23.1 1.0 CHD A:6CO201 3.5 23.4 1.0 CHC A:6CO201 3.6 22.8 1.0 C5 A:6CO201 4.1 23.4 1.0 C3 A:6CO201 4.2 23.4 1.0 C2A A:6CO201 4.3 24.4 1.0 C3A A:6CO201 4.3 24.0 1.0 C3D A:6CO201 4.3 24.5 1.0 C2B A:6CO201 4.4 23.0 1.0 C3B A:6CO201 4.4 22.9 1.0 C3C A:6CO201 4.4 22.8 1.0 C2C A:6CO201 4.4 22.6 1.0 C2D A:6CO201 4.4 23.9 1.0 ND1 A:HIS93 4.4 22.6 1.0 CG A:HIS93 4.4 22.6 1.0 C4 A:6CO201 4.7 23.6 1.0

B.Wang, L.M.Thomas, G.B.Richter-Addo. Organometallic Myoglobins: Formation of Fe-Carbon Bonds and Distal Pocket Effects on Aryl Ligand Conformations. J. Inorg. Biochem. V. 164 1 2016.
ISSN: ISSN 1873-3344
PubMed: 27687333
DOI: 10.1016/J.JINORGBIO.2016.06.028