Iron in PDB 1ibe: Deoxy-Haemoglobin Trapped in the High-Affinity (R) State

The structure of Deoxy-Haemoglobin Trapped in the High-Affinity (R) State, PDB code: 1ibe was solved by J.Wilson, K.Phillips, B.Luisi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.180, 63.180, 54.580, 90.00, 111.10, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Deoxy-Haemoglobin Trapped in the High-Affinity (R) State (pdb code 1ibe). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Deoxy-Haemoglobin Trapped in the High-Affinity (R) State, PDB code: 1ibe:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Deoxy-Haemoglobin Trapped in the High-Affinity (R) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Deoxy-Haemoglobin Trapped in the High-Affinity (R) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:21.9 occ:1.00 FE A:HEM143 0.0 21.9 1.0 NC A:HEM143 2.0 19.8 1.0 NA A:HEM143 2.0 23.2 1.0 ND A:HEM143 2.0 24.3 1.0 NB A:HEM143 2.1 24.2 1.0 NE2 A:HIS87 2.2 16.7 1.0 C4D A:HEM143 3.0 27.5 1.0 C4C A:HEM143 3.0 19.8 1.0 C1D A:HEM143 3.0 22.8 1.0 C1C A:HEM143 3.0 22.2 1.0 C1A A:HEM143 3.1 24.4 1.0 C4A A:HEM143 3.1 23.8 1.0 C4B A:HEM143 3.1 22.0 1.0 C1B A:HEM143 3.1 23.0 1.0 CE1 A:HIS87 3.2 14.8 1.0 O A:HOH145 3.2 27.6 1.0 CD2 A:HIS87 3.2 15.2 1.0 CHC A:HEM143 3.4 19.5 1.0 CHD A:HEM143 3.4 21.9 1.0 CHA A:HEM143 3.5 22.4 1.0 CHB A:HEM143 3.5 19.9 1.0 C3D A:HEM143 4.3 28.6 1.0 C2A A:HEM143 4.3 26.7 1.0 C3C A:HEM143 4.3 20.4 1.0 C2C A:HEM143 4.3 23.4 1.0 C3A A:HEM143 4.3 25.3 1.0 C2D A:HEM143 4.3 28.3 1.0 ND1 A:HIS87 4.3 15.8 1.0 C3B A:HEM143 4.3 21.5 1.0 CG A:HIS87 4.3 16.6 1.0 NE2 A:HIS58 4.3 25.8 1.0 C2B A:HEM143 4.3 24.2 1.0 CE1 A:HIS58 4.6 26.1 1.0

Iron binding site 2 out of 2 in the Deoxy-Haemoglobin Trapped in the High-Affinity (R) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Deoxy-Haemoglobin Trapped in the High-Affinity (R) State within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:25.2 occ:1.00 FE B:HEM147 0.0 25.2 1.0 NA B:HEM147 2.0 23.0 1.0 NB B:HEM147 2.0 22.5 1.0 ND B:HEM147 2.0 26.4 1.0 NC B:HEM147 2.1 20.1 1.0 NE2 B:HIS92 2.3 20.1 1.0 C1A B:HEM147 3.0 28.5 1.0 C4D B:HEM147 3.0 24.7 1.0 C4B B:HEM147 3.1 21.7 1.0 C1B B:HEM147 3.1 23.4 1.0 C1D B:HEM147 3.1 28.5 1.0 C4A B:HEM147 3.1 25.9 1.0 C4C B:HEM147 3.1 23.8 1.0 C1C B:HEM147 3.1 22.7 1.0 CD2 B:HIS92 3.1 24.0 1.0 CE1 B:HIS92 3.3 26.3 1.0 CHA B:HEM147 3.4 25.2 1.0 CHB B:HEM147 3.5 24.1 1.0 CHC B:HEM147 3.5 19.3 1.0 CHD B:HEM147 3.5 27.3 1.0 NE2 B:HIS63 4.3 24.9 1.0 C3D B:HEM147 4.3 32.3 1.0 C2A B:HEM147 4.3 29.9 1.0 C3B B:HEM147 4.3 26.3 1.0 C2B B:HEM147 4.3 22.8 1.0 C2D B:HEM147 4.3 30.9 1.0 C3A B:HEM147 4.3 28.6 1.0 CG B:HIS92 4.3 26.0 1.0 C3C B:HEM147 4.3 23.4 1.0 C2C B:HEM147 4.4 25.7 1.0 ND1 B:HIS92 4.4 29.1 1.0 CG2 B:VAL67 4.4 16.9 1.0 CE1 B:HIS63 4.9 26.3 1.0 CD1 B:LEU96 4.9 27.1 1.0

J.Wilson, K.Phillips, B.Luisi. The Crystal Structure of Horse Deoxyhaemoglobin Trapped in the High-Affinity (R) State. J.Mol.Biol. V. 264 743 1996.
ISSN: ISSN 0022-2836
PubMed: 8980683
DOI: 10.1006/JMBI.1996.0674