Iron in PDB 1coh: Structure of Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems

The structure of Structure of Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems, PDB code: 1coh was solved by B.Luisi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.090, 83.060, 53.670, 90.00, 99.63, 90.00
R / Rfree (%)	n/a / n/a

The structure of Structure of Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Iron atom in the Structure of Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems (pdb code 1coh). 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 Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems, PDB code: 1coh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:18.1 occ:1.00 FE A:HEM142 0.0 18.1 1.0 C A:CMO143 1.9 20.4 1.0 NA A:HEM142 2.0 18.6 1.0 ND A:HEM142 2.0 18.0 1.0 NC A:HEM142 2.1 17.4 1.0 NB A:HEM142 2.1 13.6 1.0 NE2 A:HIS87 2.2 14.3 1.0 C4D A:HEM142 3.0 17.6 1.0 C1A A:HEM142 3.0 21.0 1.0 O A:CMO143 3.0 20.4 1.0 C1C A:HEM142 3.1 13.6 1.0 C4A A:HEM142 3.1 22.4 1.0 C1D A:HEM142 3.1 13.6 1.0 C4B A:HEM142 3.1 13.6 1.0 CE1 A:HIS87 3.1 13.6 1.0 C1B A:HEM142 3.1 18.6 1.0 C4C A:HEM142 3.1 13.6 1.0 CHA A:HEM142 3.3 17.2 1.0 CD2 A:HIS87 3.4 15.2 1.0 CHC A:HEM142 3.5 13.6 1.0 CHD A:HEM142 3.5 13.6 1.0 CHB A:HEM142 3.5 23.2 1.0 C3D A:HEM142 4.2 21.5 1.0 C2A A:HEM142 4.3 23.2 1.0 C3A A:HEM142 4.3 25.3 1.0 C2D A:HEM142 4.3 19.0 1.0 C2C A:HEM142 4.3 13.6 1.0 C3B A:HEM142 4.3 17.3 1.0 C2B A:HEM142 4.4 13.6 1.0 C3C A:HEM142 4.4 13.6 1.0 ND1 A:HIS87 4.4 15.7 1.0 NE2 A:HIS58 4.5 22.9 1.0 CG A:HIS87 4.5 18.3 1.0 CD1 A:LEU91 4.8 20.7 1.0 CE1 A:HIS58 4.9 20.4 1.0

Iron binding site 2 out of 2 in the Structure of Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:17.0 occ:1.00 FE C:HEM142 0.0 17.0 1.0 NC C:HEM142 1.9 13.6 1.0 ND C:HEM142 2.0 13.6 1.0 C C:CMO143 2.0 20.3 1.0 NB C:HEM142 2.0 15.8 1.0 NA C:HEM142 2.1 18.4 1.0 NE2 C:HIS87 2.3 15.6 1.0 C1C C:HEM142 2.9 15.8 1.0 C4C C:HEM142 2.9 13.6 1.0 C1D C:HEM142 3.0 13.6 1.0 C4B C:HEM142 3.0 13.6 1.0 C4D C:HEM142 3.0 13.6 1.0 C1A C:HEM142 3.1 16.1 1.0 C1B C:HEM142 3.1 18.8 1.0 C4A C:HEM142 3.2 13.6 1.0 O C:CMO143 3.2 20.3 1.0 CE1 C:HIS87 3.3 13.6 1.0 CD2 C:HIS87 3.3 13.6 1.0 CHC C:HEM142 3.3 16.9 1.0 CHD C:HEM142 3.3 15.2 1.0 CHA C:HEM142 3.4 16.4 1.0 CHB C:HEM142 3.6 16.4 1.0 C2C C:HEM142 4.1 13.6 1.0 C3C C:HEM142 4.2 13.6 1.0 C2D C:HEM142 4.2 16.9 1.0 C3D C:HEM142 4.3 13.6 1.0 C3B C:HEM142 4.3 14.2 1.0 C2A C:HEM142 4.3 15.4 1.0 C2B C:HEM142 4.3 14.4 1.0 C3A C:HEM142 4.4 15.8 1.0 ND1 C:HIS87 4.4 17.2 1.0 CG C:HIS87 4.5 13.6 1.0 NE2 C:HIS58 4.5 16.1 1.0 CD1 C:LEU91 4.8 17.3 1.0 CE1 C:HIS58 4.9 18.1 1.0

B.Luisi, N.Shibayama. Structure of Haemoglobin in the Deoxy Quaternary State with Ligand Bound at the Alpha Haems. J.Mol.Biol. V. 206 723 1989.
ISSN: ISSN 0022-2836
PubMed: 2738915
DOI: 10.1016/0022-2836(89)90579-2