Iron in PDB 2fri: Horse Heart Myoglobin, Nitrite Adduct, Co-Crystallized

The structure of Horse Heart Myoglobin, Nitrite Adduct, Co-Crystallized, PDB code: 2fri 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)	19.96 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.223, 28.592, 62.841, 90.00, 106.03, 90.00
R / Rfree (%)	14.6 / 20.6

The binding sites of Iron atom in the Horse Heart Myoglobin, Nitrite Adduct, Co-Crystallized (pdb code 2fri). 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 Horse Heart Myoglobin, Nitrite Adduct, Co-Crystallized, PDB code: 2fri:

Iron binding site 1 out of 1 in the Horse Heart Myoglobin, Nitrite Adduct, Co-Crystallized


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Horse Heart Myoglobin, Nitrite Adduct, Co-Crystallized within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe154 b:10.8 occ:1.00 FE X:HEM154 0.0 10.8 1.0 ND X:HEM154 2.0 6.7 1.0 O1 X:NO2159 2.1 8.9 0.7 NE2 X:HIS93 2.1 8.4 1.0 NB X:HEM154 2.1 6.9 1.0 NA X:HEM154 2.1 8.1 1.0 NC X:HEM154 2.1 7.6 1.0 O X:HOH1159 2.2 10.8 0.3 N X:NO2159 2.8 10.8 0.7 C4D X:HEM154 3.0 7.0 1.0 CE1 X:HIS93 3.0 12.1 1.0 C1D X:HEM154 3.0 8.3 1.0 CD2 X:HIS93 3.1 9.1 1.0 C1A X:HEM154 3.1 9.1 1.0 C1B X:HEM154 3.1 7.6 1.0 C4B X:HEM154 3.1 9.1 1.0 C4A X:HEM154 3.1 7.2 1.0 C1C X:HEM154 3.1 8.5 1.0 C4C X:HEM154 3.1 7.0 1.0 CHA X:HEM154 3.4 10.3 1.0 CHD X:HEM154 3.4 10.6 1.0 CHB X:HEM154 3.5 9.7 1.0 CHC X:HEM154 3.5 9.8 1.0 O2 X:NO2159 3.9 14.8 0.7 ND1 X:HIS93 4.2 9.3 1.0 CG X:HIS93 4.2 11.4 1.0 C3D X:HEM154 4.3 11.5 1.0 C2D X:HEM154 4.3 10.6 1.0 C2A X:HEM154 4.3 8.0 1.0 C2B X:HEM154 4.3 8.3 1.0 NE2 X:HIS64 4.3 11.3 1.0 C3B X:HEM154 4.3 8.1 1.0 C3A X:HEM154 4.3 10.0 1.0 C2C X:HEM154 4.3 11.7 1.0 C3C X:HEM154 4.4 7.4 1.0 CG2 X:VAL68 4.7 8.7 1.0 CE1 X:HIS64 4.9 12.6 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