Iron in PDB 4n8t: Human Hemoglobin Nitric Oxide Adduct

The structure of Human Hemoglobin Nitric Oxide Adduct, PDB code: 4n8t was solved by J.Yi, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.48 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.567, 53.567, 192.499, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 25.2

The binding sites of Iron atom in the Human Hemoglobin Nitric Oxide Adduct (pdb code 4n8t). 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 Nitric Oxide Adduct, PDB code: 4n8t:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Human Hemoglobin Nitric Oxide Adduct


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Hemoglobin Nitric Oxide Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:23.1 occ:1.00 FE A:HEM201 0.0 23.1 1.0 N A:NO206 1.8 21.0 1.0 NE2 A:HIS87 2.0 23.8 1.0 ND A:HEM201 2.0 23.9 1.0 NA A:HEM201 2.0 24.8 1.0 NC A:HEM201 2.1 23.3 1.0 NB A:HEM201 2.1 21.9 1.0 O A:NO206 2.8 35.3 1.0 CD2 A:HIS87 2.9 23.2 1.0 C1D A:HEM201 3.0 22.0 1.0 C4D A:HEM201 3.0 23.2 1.0 CE1 A:HIS87 3.0 25.7 1.0 C4B A:HEM201 3.0 22.4 1.0 C4A A:HEM201 3.0 25.0 1.0 C4C A:HEM201 3.0 20.4 1.0 C1A A:HEM201 3.0 24.3 1.0 C1B A:HEM201 3.1 25.6 1.0 C1C A:HEM201 3.1 22.9 1.0 CHB A:HEM201 3.4 26.1 1.0 CHD A:HEM201 3.4 20.8 1.0 CHC A:HEM201 3.4 22.4 1.0 CHA A:HEM201 3.5 25.3 1.0 ND1 A:HIS87 4.1 23.2 1.0 CG A:HIS87 4.1 24.3 1.0 C2C A:HEM201 4.2 21.9 1.0 C3C A:HEM201 4.2 21.9 1.0 C3A A:HEM201 4.2 26.8 1.0 NE2 A:HIS58 4.2 24.8 1.0 C2A A:HEM201 4.2 25.0 1.0 C3D A:HEM201 4.3 24.7 1.0 C2D A:HEM201 4.3 22.8 1.0 C3B A:HEM201 4.3 21.7 1.0 C2B A:HEM201 4.3 22.2 1.0 CE1 A:HIS58 4.6 22.9 1.0

Iron binding site 2 out of 2 in the Human Hemoglobin Nitric Oxide Adduct


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Hemoglobin Nitric Oxide Adduct within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:36.7 occ:1.00 FE B:HEM201 0.0 36.7 1.0 ND B:HEM201 1.9 37.3 1.0 NE2 B:HIS92 2.0 30.6 1.0 NA B:HEM201 2.0 32.6 1.0 NC B:HEM201 2.1 40.3 1.0 NB B:HEM201 2.1 36.3 1.0 N B:NO202 2.1 33.0 0.8 CD2 B:HIS92 2.9 33.3 1.0 C1D B:HEM201 3.0 38.3 1.0 C4D B:HEM201 3.0 38.9 1.0 O B:NO202 3.0 39.4 0.8 C1A B:HEM201 3.0 34.1 1.0 CE1 B:HIS92 3.0 35.7 1.0 C4A B:HEM201 3.1 32.5 1.0 C4B B:HEM201 3.1 36.4 1.0 C4C B:HEM201 3.1 38.1 1.0 C1C B:HEM201 3.1 38.0 1.0 C1B B:HEM201 3.1 34.3 1.0 CHA B:HEM201 3.4 34.1 1.0 CHC B:HEM201 3.4 35.0 1.0 CHD B:HEM201 3.5 35.9 1.0 CHB B:HEM201 3.5 33.1 1.0 ND1 B:HIS92 4.1 36.9 1.0 CG B:HIS92 4.1 32.6 1.0 C2D B:HEM201 4.2 37.7 1.0 C2A B:HEM201 4.2 34.7 1.0 C3D B:HEM201 4.2 35.8 1.0 C3A B:HEM201 4.3 30.1 1.0 NE2 B:HIS63 4.3 41.7 1.0 C2C B:HEM201 4.3 38.9 1.0 C3C B:HEM201 4.3 34.3 1.0 C2B B:HEM201 4.3 35.9 1.0 C3B B:HEM201 4.3 36.4 1.0 CG2 B:VAL67 4.6 29.8 1.0 CE1 B:HIS63 4.9 48.2 1.0

J.Yi, A.S.Soares, G.B.Richter-Addo. Crystallographic Characterization of the Nitric Oxide Derivative of R-State Human Hemoglobin. Nitric Oxide V. 39 46 2014.
ISSN: ISSN 1089-8603
PubMed: 24769418
DOI: 10.1016/J.NIOX.2014.04.001