Iron in PDB 3hep: Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified

The structure of Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified, PDB code: 3hep was solved by J.Yi, 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)	23.20 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	30.389, 119.390, 57.155, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25

The binding sites of Iron atom in the Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified (pdb code 3hep). 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 Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified, PDB code: 3hep:

Iron binding site 1 out of 1 in the Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe154 b:24.2 occ:1.00 FE A:HEM154 0.0 24.2 1.0 NA A:HEM154 2.1 21.6 1.0 NE2 A:HIS93 2.1 19.6 1.0 ND A:HEM154 2.1 23.7 1.0 NB A:HEM154 2.1 21.7 1.0 NC A:HEM154 2.2 20.4 1.0 N A:NO2155 2.6 33.6 0.7 CD2 A:HIS93 3.0 21.6 1.0 C1A A:HEM154 3.0 24.9 1.0 O1 A:NO2155 3.1 35.6 0.7 C4A A:HEM154 3.1 22.4 1.0 C4D A:HEM154 3.1 24.9 1.0 C4B A:HEM154 3.1 18.9 1.0 CE1 A:HIS93 3.1 28.1 1.0 C1B A:HEM154 3.1 19.3 1.0 C1C A:HEM154 3.1 18.8 1.0 C1D A:HEM154 3.1 24.2 1.0 C4C A:HEM154 3.2 20.6 1.0 O2 A:NO2155 3.3 35.0 0.7 CHA A:HEM154 3.4 24.1 1.0 CHC A:HEM154 3.5 17.4 1.0 CHB A:HEM154 3.5 20.2 1.0 CHD A:HEM154 3.6 21.9 1.0 ND1 A:HIS93 4.2 24.1 1.0 CG A:HIS93 4.2 20.6 1.0 C3A A:HEM154 4.2 21.1 1.0 C2A A:HEM154 4.3 24.4 1.0 C3B A:HEM154 4.3 17.4 1.0 C3D A:HEM154 4.3 25.8 1.0 C2D A:HEM154 4.3 23.5 1.0 C2B A:HEM154 4.3 18.7 1.0 C2C A:HEM154 4.4 20.9 1.0 C3C A:HEM154 4.4 16.2 1.0 CG2 A:VAL68 4.5 23.5 1.0 O A:HOH157 4.7 30.3 0.7 CD1 A:LEU89 5.0 33.1 1.0

J.Yi, J.Heinecke, H.Tan, P.C.Ford, G.B.Richter-Addo. The Distal Pocket Histidine Residue in Horse Heart Myoglobin Directs the O-Binding Mode of Nitrite to the Heme Iron. J.Am.Chem.Soc. V. 131 18119 2009.
ISSN: ISSN 0002-7863
PubMed: 19924902
DOI: 10.1021/JA904726Q