Iron in PDB 4hhb: The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution

The structure of The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution, PDB code: 4hhb was solved by G.Fermi, M.F.Perutz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.74
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.150, 83.590, 53.800, 90.00, 99.34, 90.00
R / Rfree (%)	13.5 / n/a

The binding sites of Iron atom in the The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution (pdb code 4hhb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution, PDB code: 4hhb:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution 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 NE2 A:HIS87 2.1 15.6 1.0 ND A:HEM142 2.2 13.1 1.0 NA A:HEM142 2.2 16.5 1.0 NB A:HEM142 2.2 12.3 1.0 NC A:HEM142 2.2 15.1 1.0 C1A A:HEM142 3.0 17.4 1.0 CE1 A:HIS87 3.0 15.3 1.0 C1D A:HEM142 3.1 11.3 1.0 C4A A:HEM142 3.1 16.9 1.0 C4C A:HEM142 3.1 10.3 1.0 C4B A:HEM142 3.2 14.8 1.0 C1C A:HEM142 3.2 13.4 1.0 C4D A:HEM142 3.2 16.5 1.0 CD2 A:HIS87 3.2 17.9 1.0 C1B A:HEM142 3.2 23.6 1.0 CHA A:HEM142 3.3 16.3 1.0 CHB A:HEM142 3.4 26.3 1.0 O A:HOH144 3.4 30.0 1.0 CHD A:HEM142 3.6 14.8 1.0 CHC A:HEM142 3.6 13.2 1.0 C3D A:HEM142 4.2 20.5 1.0 ND1 A:HIS87 4.3 15.3 1.0 C2A A:HEM142 4.3 18.5 1.0 C2D A:HEM142 4.3 16.7 1.0 CG A:HIS87 4.4 14.9 1.0 C3A A:HEM142 4.4 18.4 1.0 C2B A:HEM142 4.4 11.7 1.0 C3B A:HEM142 4.4 17.4 1.0 C2C A:HEM142 4.4 11.2 1.0 C3C A:HEM142 4.5 8.9 1.0 CE1 A:HIS58 4.5 20.1 1.0 CD1 A:LEU91 4.5 18.3 1.0 NE2 A:HIS58 4.6 21.1 1.0

Iron binding site 2 out of 4 in the The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:15.0 occ:1.00 FE B:HEM148 0.0 15.0 1.0 NC B:HEM148 1.9 11.2 1.0 NB B:HEM148 2.0 12.7 1.0 ND B:HEM148 2.0 16.7 1.0 NA B:HEM148 2.1 15.6 1.0 NE2 B:HIS92 2.2 14.8 1.0 CE1 B:HIS92 2.9 17.0 1.0 C4B B:HEM148 3.0 15.3 1.0 C4D B:HEM148 3.0 20.8 1.0 C1C B:HEM148 3.0 14.4 1.0 C4C B:HEM148 3.1 8.7 1.0 C1B B:HEM148 3.1 10.4 1.0 C1A B:HEM148 3.1 24.6 1.0 C4A B:HEM148 3.1 18.8 1.0 C1D B:HEM148 3.1 18.3 1.0 CD2 B:HIS92 3.2 23.8 1.0 CHD B:HEM148 3.5 16.2 1.0 CHB B:HEM148 3.5 16.5 1.0 CHC B:HEM148 3.5 16.8 1.0 CHA B:HEM148 3.5 21.6 1.0 C3D B:HEM148 4.2 14.6 1.0 CG2 B:VAL67 4.2 21.3 1.0 NE2 B:HIS63 4.2 20.0 1.0 C2A B:HEM148 4.3 17.1 1.0 ND1 B:HIS92 4.3 15.3 1.0 C3B B:HEM148 4.3 15.6 1.0 CE1 B:HIS63 4.3 21.5 1.0 C2C B:HEM148 4.3 10.8 1.0 CG B:HIS92 4.3 15.5 1.0 C2D B:HEM148 4.4 15.5 1.0 C2B B:HEM148 4.4 7.3 1.0 C3A B:HEM148 4.5 13.5 1.0 C3C B:HEM148 4.5 10.7 1.0 CD1 B:LEU96 5.0 13.8 1.0

Iron binding site 3 out of 4 in the The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:16.9 occ:1.00 FE C:HEM142 0.0 16.9 1.0 NA C:HEM142 2.1 16.6 1.0 NC C:HEM142 2.1 12.3 1.0 ND C:HEM142 2.1 12.3 1.0 NB C:HEM142 2.1 12.8 1.0 NE2 C:HIS87 2.3 17.3 1.0 C1A C:HEM142 2.9 16.7 1.0 C4B C:HEM142 3.0 8.3 1.0 C1C C:HEM142 3.0 16.0 1.0 CE1 C:HIS87 3.0 13.5 1.0 C1D C:HEM142 3.0 11.5 1.0 CD2 C:HIS87 3.2 14.6 1.0 C4C C:HEM142 3.2 15.4 1.0 C4D C:HEM142 3.2 11.3 1.0 C4A C:HEM142 3.2 12.1 1.0 C1B C:HEM142 3.2 18.4 1.0 CHC C:HEM142 3.3 15.2 1.0 CHA C:HEM142 3.4 19.0 1.0 O C:HOH149 3.4 33.0 1.0 CHB C:HEM142 3.5 20.5 1.0 CHD C:HEM142 3.6 14.7 1.0 C2A C:HEM142 4.3 15.7 1.0 C3D C:HEM142 4.3 11.4 1.0 C3B C:HEM142 4.3 12.5 1.0 ND1 C:HIS87 4.3 16.0 1.0 C2C C:HEM142 4.3 9.4 1.0 C3C C:HEM142 4.4 11.7 1.0 CG C:HIS87 4.4 12.2 1.0 C2D C:HEM142 4.4 12.9 1.0 C3A C:HEM142 4.4 17.3 1.0 NE2 C:HIS58 4.4 17.4 1.0 C2B C:HEM142 4.4 12.9 1.0 CE1 C:HIS58 4.5 21.8 1.0 CD1 C:LEU91 4.6 18.3 1.0

Iron binding site 4 out of 4 in the The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure of Human Deoxyhaemoglobin at 1.74 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe148 b:15.5 occ:1.00 FE D:HEM148 0.0 15.5 1.0 NE2 D:HIS92 2.0 18.1 1.0 NB D:HEM148 2.0 14.3 1.0 ND D:HEM148 2.1 12.9 1.0 NA D:HEM148 2.1 16.0 1.0 NC D:HEM148 2.1 12.2 1.0 CE1 D:HIS92 3.0 13.0 1.0 C4A D:HEM148 3.0 25.4 1.0 C1A D:HEM148 3.0 28.1 1.0 C4B D:HEM148 3.1 12.8 1.0 C1D D:HEM148 3.1 18.3 1.0 CD2 D:HIS92 3.1 12.9 1.0 C1C D:HEM148 3.1 14.2 1.0 C4C D:HEM148 3.1 15.1 1.0 C1B D:HEM148 3.2 14.3 1.0 C4D D:HEM148 3.2 19.8 1.0 CHA D:HEM148 3.3 19.8 1.0 CHB D:HEM148 3.3 16.6 1.0 CHC D:HEM148 3.4 13.9 1.0 CHD D:HEM148 3.6 15.9 1.0 CG2 D:VAL67 4.2 19.3 1.0 C3D D:HEM148 4.3 19.2 1.0 C2B D:HEM148 4.3 15.8 1.0 C2D D:HEM148 4.3 20.4 1.0 C3B D:HEM148 4.3 14.9 1.0 ND1 D:HIS92 4.3 14.7 1.0 CE1 D:HIS63 4.3 25.0 1.0 CG D:HIS92 4.3 14.9 1.0 C2C D:HEM148 4.4 16.8 1.0 C2A D:HEM148 4.4 22.3 1.0 C3C D:HEM148 4.4 13.2 1.0 C3A D:HEM148 4.4 22.6 1.0 NE2 D:HIS63 4.6 32.4 1.0 CD1 D:LEU96 4.9 15.5 1.0

G.Fermi, M.F.Perutz, B.Shaanan, R.Fourme. The Crystal Structure of Human Deoxyhaemoglobin at 1.74 A Resolution J.Mol.Biol. V. 175 159 1984.
ISSN: ISSN 0022-2836
PubMed: 6726807
DOI: 10.1016/0022-2836(84)90472-8