Iron in PDB 2frj: Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method

The structure of Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method, PDB code: 2frj was solved by D.M.Copeland, A.S.Soares, A.H.West, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.78 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.497, 28.795, 63.257, 90.00, 105.96, 90.00
R / Rfree (%)	17.7 / 22

The binding sites of Iron atom in the Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method (pdb code 2frj). 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 Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method, PDB code: 2frj:

Iron binding site 1 out of 1 in the Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe154 b:13.5 occ:1.00 FE X:HEM154 0.0 13.5 1.0 N X:NO155 1.9 13.9 0.9 NA X:HEM154 2.0 13.3 1.0 NB X:HEM154 2.0 12.9 1.0 NC X:HEM154 2.1 11.4 1.0 ND X:HEM154 2.1 11.9 1.0 NE2 X:HIS93 2.1 13.6 1.0 O X:NO155 2.9 21.2 0.9 C4C X:HEM154 3.0 12.4 1.0 CE1 X:HIS93 3.0 15.2 1.0 C1A X:HEM154 3.1 13.4 1.0 C1C X:HEM154 3.1 13.5 1.0 C1B X:HEM154 3.1 13.1 1.0 C4B X:HEM154 3.1 12.8 1.0 C4D X:HEM154 3.1 12.7 1.0 C1D X:HEM154 3.1 12.6 1.0 C4A X:HEM154 3.1 11.9 1.0 CD2 X:HIS93 3.1 11.1 1.0 CHD X:HEM154 3.4 12.8 1.0 CHC X:HEM154 3.4 12.8 1.0 CHB X:HEM154 3.4 12.8 1.0 CHA X:HEM154 3.4 11.6 1.0 ND1 X:HIS93 4.2 13.2 1.0 CG X:HIS93 4.2 14.7 1.0 C3C X:HEM154 4.3 13.9 1.0 C2C X:HEM154 4.3 13.8 1.0 C3B X:HEM154 4.3 12.6 1.0 C3D X:HEM154 4.3 13.7 1.0 C2A X:HEM154 4.3 12.4 1.0 C2B X:HEM154 4.3 14.3 1.0 C3A X:HEM154 4.3 13.4 1.0 C2D X:HEM154 4.3 13.4 1.0 NE2 X:HIS64 4.4 16.2 1.0 CG2 X:VAL68 4.6 16.5 1.0 CE1 X:HIS64 4.9 15.9 1.0

D.M.Copeland, A.S.Soares, A.H.West, G.B.Richter-Addo. Crystal Structures of the Nitrite and Nitric Oxide Complexes of Horse Heart Myoglobin. J.Inorg.Biochem. V. 100 1413 2006.
ISSN: ISSN 0162-0134
PubMed: 16777231
DOI: 10.1016/J.JINORGBIO.2006.04.011