Iron in PDB 1nih: Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits

The structure of Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits, PDB code: 1nih was solved by B.Luisi, B.Liddington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.180, 82.260, 55.060, 90.00, 98.42, 90.00
R / Rfree (%)	21.4 / n/a

The structure of Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Iron atom in the Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits (pdb code 1nih). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits, PDB code: 1nih:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:12.5 occ:1.00 FE B:HEM201 0.0 12.5 1.0 NC B:HEM201 1.8 7.9 1.0 C B:CMO202 1.9 19.3 1.0 ND B:HEM201 1.9 21.6 1.0 NA B:HEM201 2.0 11.8 1.0 NB B:HEM201 2.1 1.4 1.0 NE2 B:HIS92 2.2 7.1 1.0 C1C B:HEM201 2.9 5.9 1.0 C4C B:HEM201 3.0 13.6 1.0 C4D B:HEM201 3.0 26.9 1.0 C1D B:HEM201 3.0 17.3 1.0 O B:CMO202 3.0 19.3 1.0 C1A B:HEM201 3.0 20.2 1.0 C4A B:HEM201 3.1 18.5 1.0 C4B B:HEM201 3.1 3.5 1.0 C1B B:HEM201 3.2 15.7 1.0 CE1 B:HIS92 3.2 12.7 1.0 CD2 B:HIS92 3.3 10.3 1.0 CHC B:HEM201 3.4 11.1 1.0 CHA B:HEM201 3.5 16.7 1.0 CHD B:HEM201 3.5 3.4 1.0 CHB B:HEM201 3.5 12.9 1.0 C2C B:HEM201 4.1 7.2 1.0 C3C B:HEM201 4.1 7.8 1.0 C2D B:HEM201 4.2 8.7 1.0 C3D B:HEM201 4.2 15.9 1.0 C3A B:HEM201 4.3 26.5 1.0 C2A B:HEM201 4.3 25.1 1.0 C3B B:HEM201 4.4 8.8 1.0 NE2 B:HIS63 4.4 29.5 1.0 ND1 B:HIS92 4.4 20.2 1.0 C2B B:HEM201 4.4 10.0 1.0 CG B:HIS92 4.4 14.7 1.0 CG2 B:VAL67 4.6 10.0 1.0 CE1 B:HIS63 4.9 21.6 1.0

Iron binding site 2 out of 2 in the Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:16.8 occ:1.00 FE D:HEM201 0.0 16.8 1.0 ND D:HEM201 1.7 4.5 1.0 C D:CMO202 1.7 19.4 1.0 NA D:HEM201 1.9 9.0 1.0 NC D:HEM201 2.0 6.3 1.0 NB D:HEM201 2.3 6.1 1.0 NE2 D:HIS92 2.3 13.8 1.0 C4D D:HEM201 2.8 17.3 1.0 C1D D:HEM201 2.8 17.9 1.0 C1A D:HEM201 2.9 44.4 1.0 O D:CMO202 2.9 21.8 1.0 C4C D:HEM201 3.0 14.2 1.0 C1C D:HEM201 3.1 16.2 1.0 C4A D:HEM201 3.1 5.1 1.0 CD2 D:HIS92 3.1 17.5 1.0 CHA D:HEM201 3.2 20.2 1.0 C4B D:HEM201 3.3 8.4 1.0 CHD D:HEM201 3.3 10.3 1.0 C1B D:HEM201 3.3 4.6 1.0 CE1 D:HIS92 3.4 14.2 1.0 CHC D:HEM201 3.6 4.8 1.0 CHB D:HEM201 3.6 10.6 1.0 C3D D:HEM201 4.0 11.3 1.0 C2D D:HEM201 4.1 14.3 1.0 NE2 D:HIS63 4.2 48.4 1.0 C2A D:HEM201 4.2 25.4 1.0 C3C D:HEM201 4.2 10.1 1.0 C3A D:HEM201 4.3 18.2 1.0 C2C D:HEM201 4.3 9.1 1.0 CG D:HIS92 4.4 8.2 1.0 ND1 D:HIS92 4.5 20.1 1.0 C3B D:HEM201 4.5 10.9 1.0 C2B D:HEM201 4.6 9.9 1.0 CG2 D:VAL67 4.6 11.6 1.0 CE1 D:HIS63 4.9 35.8 1.0

B.Luisi, B.Liddington, G.Fermi, N.Shibayama. Structure of Deoxy-Quaternary Haemoglobin with Liganded Beta Subunits. J.Mol.Biol. V. 214 7 1990.
ISSN: ISSN 0022-2836
PubMed: 2370669
DOI: 10.1016/0022-2836(90)90139-D