Iron in PDB 3hc9: Ferric Horse Heart Myoglobin; H64V Mutant

The structure of Ferric Horse Heart Myoglobin; H64V Mutant, PDB code: 3hc9 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)	20.80 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	30.639, 119.236, 56.677, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 23.7

The structure of Ferric Horse Heart Myoglobin; H64V Mutant also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Ferric Horse Heart Myoglobin; H64V Mutant (pdb code 3hc9). 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, PDB code: 3hc9:

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe154 b:25.6 occ:1.00 FE A:HEM154 0.0 25.6 1.0 NE2 A:HIS93 2.1 25.3 1.0 NA A:HEM154 2.1 23.9 1.0 NC A:HEM154 2.1 23.5 1.0 ND A:HEM154 2.1 23.7 1.0 NB A:HEM154 2.1 19.2 1.0 CE1 A:HIS93 2.9 27.1 1.0 C1A A:HEM154 3.0 28.1 1.0 C4C A:HEM154 3.1 21.8 1.0 C4A A:HEM154 3.1 22.4 1.0 C4D A:HEM154 3.1 25.9 1.0 C1C A:HEM154 3.1 22.9 1.0 C1D A:HEM154 3.1 23.1 1.0 C4B A:HEM154 3.1 21.1 1.0 C1B A:HEM154 3.1 19.3 1.0 CD2 A:HIS93 3.2 24.5 1.0 CHA A:HEM154 3.4 25.4 1.0 CHD A:HEM154 3.5 20.6 1.0 CHC A:HEM154 3.5 18.1 1.0 CHB A:HEM154 3.5 21.6 1.0 CG2 A:VAL68 4.0 20.4 1.0 ND1 A:HIS93 4.1 26.5 1.0 CG A:HIS93 4.2 23.5 1.0 C2A A:HEM154 4.3 24.8 1.0 C3C A:HEM154 4.3 22.4 1.0 C3A A:HEM154 4.3 26.7 1.0 C3B A:HEM154 4.3 17.5 1.0 C2C A:HEM154 4.3 23.7 1.0 C3D A:HEM154 4.4 28.3 1.0 C2D A:HEM154 4.4 24.8 1.0 C2B A:HEM154 4.4 17.8 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