Iron in PDB 8fdj: Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene

The structure of Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene, PDB code: 8fdj was solved by S.M.Powell, 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)	33.44 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.529, 30.049, 64.622, 90, 104.55, 90
R / Rfree (%)	22.9 / 27.6

The binding sites of Iron atom in the Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene (pdb code 8fdj). 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 in Complex with Nitrosobenzene, PDB code: 8fdj:

Iron binding site 1 out of 1 in the Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene


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 in Complex with Nitrosobenzene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:20.4 occ:1.00 FE A:HEM201 0.0 20.4 1.0 ND A:HEM201 1.9 19.7 1.0 NA A:HEM201 2.0 22.2 1.0 NC A:HEM201 2.1 19.5 1.0 NB A:HEM201 2.1 18.7 1.0 N A:NBE202 2.1 20.7 1.0 NE2 A:HIS93 2.2 18.6 1.0 O A:NBE202 2.9 26.1 1.0 C1D A:HEM201 2.9 22.0 1.0 C4D A:HEM201 2.9 20.2 1.0 C1A A:HEM201 3.0 22.0 1.0 C4C A:HEM201 3.0 18.7 1.0 C4A A:HEM201 3.0 20.8 1.0 C4B A:HEM201 3.0 20.2 1.0 C1B A:HEM201 3.1 18.1 1.0 C1C A:HEM201 3.1 18.3 1.0 C1 A:NBE202 3.1 24.0 1.0 CE1 A:HIS93 3.1 18.2 1.0 CD2 A:HIS93 3.3 19.2 1.0 CHD A:HEM201 3.3 19.5 1.0 CHA A:HEM201 3.4 23.3 1.0 CHC A:HEM201 3.4 18.6 1.0 CHB A:HEM201 3.5 18.4 1.0 C2 A:NBE202 3.5 25.0 1.0 C2A A:HEM201 4.2 24.5 1.0 C3A A:HEM201 4.2 23.3 1.0 C2D A:HEM201 4.2 21.5 1.0 C3C A:HEM201 4.2 20.1 1.0 C6 A:NBE202 4.2 26.3 1.0 C3D A:HEM201 4.2 22.7 1.0 C2C A:HEM201 4.2 19.7 1.0 ND1 A:HIS93 4.3 18.9 1.0 C2B A:HEM201 4.3 19.0 1.0 C3B A:HEM201 4.3 18.2 1.0 CG A:HIS93 4.4 18.9 1.0 C3 A:NBE202 4.8 27.0 1.0 NE2 A:HIS64 4.9 24.5 1.0 CG2 A:VAL68 4.9 17.7 1.0

S.M.Powell, B.Wang, V.E.Herrera, K.Y.Prather, N.T.Nguyen, E.G.Abucayon, L.M.Thomas, M.K.Safo, G.B.Richter-Addo. Crystal Structural Investigations of Heme Protein Derivatives Resulting From Reactions of Aryl- and Alkylhydroxylamines with Human Hemoglobin J.Inorg.Biochem. V. 246 12304 2023.
ISSN: ISSN 0162-0134
DOI: 10.1016/J.JINORGBIO.2023.112304