Iron in PDB 3onz: Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta

The structure of Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta, PDB code: 3onz was solved by J.Yi, L.M.Thormas, M.K.Safo, F.N.Musayev, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.64 / 2.09
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.270, 53.270, 193.620, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 28

The binding sites of Iron atom in the Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta (pdb code 3onz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta, PDB code: 3onz:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:29.5 occ:1.00 FE A:HEM143 0.0 29.5 1.0 O1 A:NO2142 1.9 26.8 1.0 NC A:HEM143 2.0 26.4 1.0 NB A:HEM143 2.1 30.7 1.0 NA A:HEM143 2.1 27.6 1.0 ND A:HEM143 2.1 29.6 1.0 NE2 A:HIS87 2.1 24.9 1.0 N A:NO2142 2.7 26.9 1.0 C4C A:HEM143 3.0 29.3 1.0 CD2 A:HIS87 3.0 25.1 1.0 C1C A:HEM143 3.1 29.6 1.0 C4B A:HEM143 3.1 26.6 1.0 C1D A:HEM143 3.1 32.2 1.0 C4A A:HEM143 3.1 27.5 1.0 C1B A:HEM143 3.1 31.7 1.0 C1A A:HEM143 3.1 30.6 1.0 C4D A:HEM143 3.1 29.4 1.0 CE1 A:HIS87 3.2 28.4 1.0 CHD A:HEM143 3.4 31.4 1.0 CHC A:HEM143 3.4 25.9 1.0 CHB A:HEM143 3.4 27.2 1.0 CHA A:HEM143 3.5 29.7 1.0 O2 A:NO2142 3.8 28.6 1.0 NE2 A:HIS58 4.2 29.7 1.0 CG A:HIS87 4.2 26.2 1.0 ND1 A:HIS87 4.3 24.6 1.0 C3C A:HEM143 4.3 26.8 1.0 C2C A:HEM143 4.3 29.1 1.0 C3B A:HEM143 4.3 28.6 1.0 C3A A:HEM143 4.3 33.2 1.0 C2B A:HEM143 4.3 27.3 1.0 C2A A:HEM143 4.3 30.9 1.0 C2D A:HEM143 4.3 34.9 1.0 C3D A:HEM143 4.3 33.8 1.0 CE1 A:HIS58 4.7 29.0 1.0

Iron binding site 2 out of 3 in the Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:36.5 occ:0.62 FE B:HEM148 0.0 36.5 0.6 NA B:HEM148 2.0 35.8 0.6 ND B:HEM148 2.1 38.8 0.6 NC B:HEM148 2.1 35.1 0.6 NB B:HEM148 2.1 33.1 0.6 NE2 B:HIS63 2.3 57.6 1.0 CE1 B:HIS63 3.0 56.7 1.0 O1 B:NO2147 3.0 32.8 0.6 C1A B:HEM148 3.0 41.0 0.6 C1D B:HEM148 3.0 35.8 0.6 C4A B:HEM148 3.0 38.7 0.6 C4C B:HEM148 3.0 36.7 0.6 C4D B:HEM148 3.1 40.3 0.6 C1B B:HEM148 3.1 37.9 0.6 C1C B:HEM148 3.1 36.5 0.6 C4B B:HEM148 3.2 37.7 0.6 CHD B:HEM148 3.4 35.7 0.6 CHA B:HEM148 3.4 39.7 0.6 CHB B:HEM148 3.4 34.0 0.6 CD2 B:HIS63 3.4 57.8 1.0 CHC B:HEM148 3.6 37.4 0.6 ND1 B:HIS63 4.2 60.3 1.0 N B:NO2147 4.2 35.3 0.6 C2A B:HEM148 4.2 43.5 0.6 C3A B:HEM148 4.3 40.6 0.6 C2D B:HEM148 4.3 37.5 0.6 C3D B:HEM148 4.3 41.1 0.6 C3C B:HEM148 4.3 36.6 0.6 C2C B:HEM148 4.3 34.2 0.6 C2B B:HEM148 4.4 34.7 0.6 C3B B:HEM148 4.4 39.1 0.6 CG B:HIS63 4.4 56.7 1.0 FE B:HEM148 4.8 35.2 0.3 NE2 B:HIS92 4.8 53.8 1.0 O B:HOH179 5.0 37.0 1.0

Iron binding site 3 out of 3 in the Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human Tetrameric Hemoglobin: Proximal Nitrite Ligand at Beta within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:35.2 occ:0.28 FE B:HEM148 0.0 35.2 0.3 CHC B:HEM148 1.4 37.4 0.6 C4B B:HEM148 1.9 37.7 0.6 CAB B:HEM148 2.0 35.9 0.6 C3B B:HEM148 2.1 39.1 0.6 C1C B:HEM148 2.6 36.5 0.6 NE2 B:HIS92 2.9 53.8 1.0 C3 B:MBN150 3.2 45.3 1.0 NB B:HEM148 3.2 33.1 0.6 CBB B:HEM148 3.3 38.0 0.6 C2C B:HEM148 3.4 34.2 0.6 C2B B:HEM148 3.4 34.7 0.6 CMC B:HEM148 3.4 36.2 0.6 C4 B:MBN150 3.6 50.0 1.0 CD2 B:HIS92 3.6 54.3 1.0 NC B:HEM148 3.8 35.1 0.6 CE1 B:HIS92 3.8 55.9 1.0 C2 B:MBN150 3.9 47.1 1.0 C1B B:HEM148 4.0 37.9 0.6 CZ B:PHE42 4.3 50.5 1.0 C5 B:MBN150 4.5 50.5 1.0 CD2 B:HIS63 4.6 57.8 1.0 CMB B:HEM148 4.6 37.1 0.6 C3C B:HEM148 4.6 36.6 0.6 CE2 B:PHE42 4.6 49.0 1.0 C1 B:MBN150 4.7 49.4 1.0 FE B:HEM148 4.8 36.5 0.6 CG B:HIS92 4.8 58.3 1.0 C4C B:HEM148 4.8 36.7 0.6 NE2 B:HIS63 4.9 57.6 1.0 ND1 B:HIS92 4.9 59.5 1.0 C6 B:MBN150 5.0 52.6 1.0

J.Yi, L.M.Thomas, F.N.Musayev, M.K.Safo, G.B.Richter-Addo. Crystallographic Trapping of Heme Loss Intermediates During the Nitrite-Induced Degradation of Human Hemoglobin. Biochemistry V. 50 8323 2011.
ISSN: ISSN 0006-2960
PubMed: 21863786
DOI: 10.1021/BI2009322