Iron in PDB 3d7o: Human Hemoglobin, Nitrogen Dioxide Anion Modified

The structure of Human Hemoglobin, Nitrogen Dioxide Anion Modified, PDB code: 3d7o was solved by J.Yi, M.K.Safo, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.37 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.538, 53.538, 191.770, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.7

The binding sites of Iron atom in the Human Hemoglobin, Nitrogen Dioxide Anion Modified (pdb code 3d7o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Human Hemoglobin, Nitrogen Dioxide Anion Modified, PDB code: 3d7o:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Human Hemoglobin, Nitrogen Dioxide Anion Modified


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Hemoglobin, Nitrogen Dioxide Anion Modified within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:21.9 occ:1.00 FE A:HEM143 0.0 21.9 1.0 O2 A:NO2142 2.0 18.4 1.0 NE2 A:HIS87 2.0 21.4 1.0 NC A:HEM143 2.0 20.2 1.0 NA A:HEM143 2.0 20.9 1.0 NB A:HEM143 2.1 18.6 1.0 ND A:HEM143 2.1 21.1 1.0 N A:NO2142 2.9 21.2 1.0 CE1 A:HIS87 3.0 20.4 1.0 CD2 A:HIS87 3.0 21.8 1.0 C1C A:HEM143 3.0 20.4 1.0 C1A A:HEM143 3.0 22.3 1.0 C4C A:HEM143 3.0 18.8 1.0 C4B A:HEM143 3.1 19.3 1.0 C4A A:HEM143 3.1 21.1 1.0 C1B A:HEM143 3.1 22.2 1.0 C4D A:HEM143 3.1 22.7 1.0 C1D A:HEM143 3.1 18.7 1.0 CHA A:HEM143 3.4 21.2 1.0 CHC A:HEM143 3.4 20.3 1.0 CHB A:HEM143 3.4 21.3 1.0 CHD A:HEM143 3.5 20.4 1.0 O1 A:NO2142 4.0 23.6 1.0 ND1 A:HIS87 4.1 21.7 1.0 CG A:HIS87 4.1 21.7 1.0 C2C A:HEM143 4.2 19.8 1.0 C3C A:HEM143 4.2 20.2 1.0 NE2 A:HIS58 4.3 22.5 1.0 C2A A:HEM143 4.3 22.4 1.0 C3A A:HEM143 4.3 21.6 1.0 C3B A:HEM143 4.3 21.0 1.0 C2B A:HEM143 4.3 19.1 1.0 C3D A:HEM143 4.3 23.5 1.0 C2D A:HEM143 4.4 23.2 1.0 CE1 A:HIS58 4.8 23.3 1.0

Iron binding site 2 out of 2 in the Human Hemoglobin, Nitrogen Dioxide Anion Modified


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Hemoglobin, Nitrogen Dioxide Anion Modified within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:27.6 occ:0.90 FE B:HEM148 0.0 27.6 0.9 O2 B:NO2147 1.9 31.4 1.0 NE2 B:HIS92 2.0 25.5 1.0 NB B:HEM148 2.0 26.7 1.0 ND B:HEM148 2.1 28.9 1.0 NA B:HEM148 2.1 28.7 1.0 NC B:HEM148 2.1 26.1 1.0 N B:NO2147 2.8 32.1 1.0 CD2 B:HIS92 3.0 26.7 1.0 CE1 B:HIS92 3.0 28.8 1.0 C1D B:HEM148 3.1 31.4 1.0 C4B B:HEM148 3.1 26.5 1.0 C4D B:HEM148 3.1 30.5 1.0 C1B B:HEM148 3.1 26.7 1.0 C4C B:HEM148 3.1 27.1 1.0 C1A B:HEM148 3.1 30.4 1.0 C4A B:HEM148 3.1 28.3 1.0 C1C B:HEM148 3.1 27.1 1.0 O1 B:NO2147 3.4 33.2 1.0 CHA B:HEM148 3.4 28.7 1.0 CHD B:HEM148 3.4 26.6 1.0 CHC B:HEM148 3.4 24.7 1.0 CHB B:HEM148 3.5 27.0 1.0 ND1 B:HIS92 4.1 28.8 1.0 CG B:HIS92 4.1 27.0 1.0 C3B B:HEM148 4.3 26.5 1.0 C2D B:HEM148 4.3 30.6 1.0 C3D B:HEM148 4.3 31.8 1.0 C2B B:HEM148 4.3 26.0 1.0 C2C B:HEM148 4.3 25.5 1.0 C3C B:HEM148 4.3 25.1 1.0 C2A B:HEM148 4.3 29.6 1.0 C3A B:HEM148 4.3 28.1 1.0 NE2 B:HIS63 4.4 32.0 1.0 CG2 B:VAL67 4.7 26.5 1.0

J.Yi, M.K.Safo, G.B.Richter-Addo. The Nitrite Anion Binds to Human Hemoglobin Via the Uncommon O-Nitrito Mode. Biochemistry V. 47 8247 2008.
ISSN: ISSN 0006-2960
PubMed: 18630930
DOI: 10.1021/BI801015C