Iron in PDB 3oo4: R-State Human Hemoglobin: Nitriheme Modified at Alpha

The structure of R-State Human Hemoglobin: Nitriheme Modified at Alpha, PDB code: 3oo4 was solved by J.Yi, L.M.Thormas, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.20 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.487, 53.487, 190.001, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 26.3

The binding sites of Iron atom in the R-State Human Hemoglobin: Nitriheme Modified at Alpha (pdb code 3oo4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the R-State Human Hemoglobin: Nitriheme Modified at Alpha, PDB code: 3oo4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the R-State Human Hemoglobin: Nitriheme Modified at Alpha


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of R-State Human Hemoglobin: Nitriheme Modified at Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:24.8 occ:1.00 FE A:NTE142 0.0 24.8 1.0 O1 A:NO2143 2.0 24.1 1.0 NE2 A:HIS87 2.0 21.8 1.0 N A:NTE142 2.1 22.8 1.0 NA A:NTE142 2.1 25.2 1.0 NB A:NTE142 2.1 22.0 1.0 ND A:NTE142 2.1 24.5 1.0 N A:NO2143 2.7 23.8 1.0 CD2 A:HIS87 2.9 22.0 1.0 CE1 A:HIS87 3.0 23.5 1.0 C4A A:NTE142 3.0 23.5 1.0 C4B A:NTE142 3.0 23.3 1.0 C1C A:NTE142 3.1 20.9 1.0 C4D A:NTE142 3.1 23.7 1.0 C4C A:NTE142 3.1 19.6 1.0 C1D A:NTE142 3.1 20.3 1.0 C1A A:NTE142 3.1 23.8 1.0 C1B A:NTE142 3.1 23.0 1.0 CHC A:NTE142 3.5 20.7 1.0 CHA A:NTE142 3.5 24.4 1.0 CHB A:NTE142 3.5 24.0 1.0 CHD A:NTE142 3.6 23.2 1.0 O2 A:NO2143 3.8 23.8 1.0 CG A:HIS87 4.1 23.0 1.0 ND1 A:HIS87 4.1 25.7 1.0 NE2 A:HIS58 4.2 21.0 1.0 C3B A:NTE142 4.3 21.6 1.0 C3A A:NTE142 4.3 26.2 1.0 C3C A:NTE142 4.3 21.9 1.0 C2A A:NTE142 4.3 24.6 1.0 C2C A:NTE142 4.3 20.6 1.0 C2D A:NTE142 4.4 24.4 1.0 C3D A:NTE142 4.4 24.7 1.0 C2B A:NTE142 4.4 22.5 1.0 CE1 A:HIS58 4.7 25.2 1.0

Iron binding site 2 out of 2 in the R-State Human Hemoglobin: Nitriheme Modified at Alpha


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of R-State Human Hemoglobin: Nitriheme Modified at Alpha within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:32.9 occ:1.00 FE B:HEM147 0.0 32.9 1.0 NE2 B:HIS92 2.0 29.0 1.0 NA B:HEM147 2.0 28.7 1.0 NB B:HEM147 2.1 29.2 1.0 NC B:HEM147 2.1 31.9 1.0 ND B:HEM147 2.1 30.6 1.0 O1 B:NO2148 2.1 30.6 0.8 N B:NO2148 2.9 30.4 0.8 CD2 B:HIS92 2.9 32.1 1.0 C1A B:HEM147 3.1 34.1 1.0 C4D B:HEM147 3.1 35.1 1.0 C4A B:HEM147 3.1 31.8 1.0 C4C B:HEM147 3.1 28.3 1.0 C1C B:HEM147 3.1 30.0 1.0 C1B B:HEM147 3.1 28.9 1.0 C4B B:HEM147 3.1 30.5 1.0 C1D B:HEM147 3.1 34.2 1.0 CE1 B:HIS92 3.1 34.4 1.0 CHA B:HEM147 3.4 31.5 1.0 CHC B:HEM147 3.4 27.2 1.0 CHB B:HEM147 3.4 29.5 1.0 CHD B:HEM147 3.5 30.5 1.0 O2 B:NO2148 3.5 32.4 0.8 CG B:HIS92 4.1 29.7 1.0 ND1 B:HIS92 4.2 34.5 1.0 NE2 B:HIS63 4.2 35.1 1.0 C2A B:HEM147 4.3 32.9 1.0 C3C B:HEM147 4.3 28.9 1.0 C2C B:HEM147 4.3 28.6 1.0 C3A B:HEM147 4.3 30.0 1.0 C2B B:HEM147 4.3 28.0 1.0 C3B B:HEM147 4.3 30.9 1.0 C3D B:HEM147 4.3 33.8 1.0 C2D B:HEM147 4.3 31.8 1.0 CG2 B:VAL67 4.7 30.4 1.0 CE1 B:HIS63 4.9 37.0 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