Iron in PDB 1bij: Crosslinked, Deoxy Human Hemoglobin A

The structure of Crosslinked, Deoxy Human Hemoglobin A, PDB code: 1bij was solved by E.J.Fernandez, C.Abad-Zapatero, K.W.Olsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.300, 96.000, 101.500, 90.00, 101.50, 90.00
R / Rfree (%)	19 / 26.3

The binding sites of Iron atom in the Crosslinked, Deoxy Human Hemoglobin A (pdb code 1bij). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crosslinked, Deoxy Human Hemoglobin A, PDB code: 1bij:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crosslinked, Deoxy Human Hemoglobin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crosslinked, Deoxy Human Hemoglobin A 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 NA A:HEM142 2.0 17.2 1.0 ND A:HEM142 2.0 18.5 1.0 NB A:HEM142 2.0 17.1 1.0 NC A:HEM142 2.0 15.5 1.0 NE2 A:HIS87 2.1 18.6 1.0 CE1 A:HIS87 3.0 21.3 1.0 C4D A:HEM142 3.0 18.2 1.0 C4A A:HEM142 3.0 17.1 1.0 C1A A:HEM142 3.0 18.9 1.0 C1B A:HEM142 3.0 16.4 1.0 C1C A:HEM142 3.0 14.8 1.0 C1D A:HEM142 3.1 14.0 1.0 C4B A:HEM142 3.1 14.3 1.0 C4C A:HEM142 3.1 13.7 1.0 CD2 A:HIS87 3.3 17.5 1.0 CHB A:HEM142 3.3 17.1 1.0 CHA A:HEM142 3.4 19.7 1.0 CHC A:HEM142 3.4 14.3 1.0 CHD A:HEM142 3.5 13.0 1.0 ND1 A:HIS87 4.2 20.6 1.0 C3D A:HEM142 4.2 14.2 1.0 C2A A:HEM142 4.3 20.2 1.0 C3A A:HEM142 4.3 19.5 1.0 C2B A:HEM142 4.3 15.1 1.0 C2D A:HEM142 4.3 15.5 1.0 C2C A:HEM142 4.3 14.1 1.0 C3B A:HEM142 4.3 15.0 1.0 CG A:HIS87 4.4 17.9 1.0 C3C A:HEM142 4.4 14.8 1.0 NE2 A:HIS58 4.7 18.7 1.0 CD1 A:LEU91 4.8 21.2 1.0 CE1 A:HIS58 4.8 19.1 1.0

Iron binding site 2 out of 4 in the Crosslinked, Deoxy Human Hemoglobin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crosslinked, Deoxy Human Hemoglobin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:28.5 occ:1.00 FE B:HEM147 0.0 28.5 1.0 NA B:HEM147 1.9 31.8 1.0 NB B:HEM147 1.9 32.5 1.0 NE2 B:HIS92 2.0 32.3 1.0 NC B:HEM147 2.0 32.1 1.0 ND B:HEM147 2.0 33.3 1.0 CE1 B:HIS92 2.9 33.9 1.0 C4B B:HEM147 3.0 30.7 1.0 C1A B:HEM147 3.0 31.6 1.0 C4A B:HEM147 3.0 32.1 1.0 C1C B:HEM147 3.0 30.5 1.0 C1B B:HEM147 3.0 31.4 1.0 CD2 B:HIS92 3.0 31.6 1.0 C4D B:HEM147 3.1 32.6 1.0 C4C B:HEM147 3.1 31.9 1.0 C1D B:HEM147 3.1 32.2 1.0 CHC B:HEM147 3.4 30.1 1.0 CHA B:HEM147 3.4 31.8 1.0 CHB B:HEM147 3.4 31.4 1.0 CHD B:HEM147 3.5 30.2 1.0 ND1 B:HIS92 4.1 33.4 1.0 CG B:HIS92 4.2 32.4 1.0 C3A B:HEM147 4.2 31.9 1.0 C3B B:HEM147 4.2 29.8 1.0 C2B B:HEM147 4.2 29.2 1.0 C2A B:HEM147 4.2 32.3 1.0 C2C B:HEM147 4.3 31.8 1.0 NE2 B:HIS63 4.3 18.1 1.0 C2D B:HEM147 4.3 31.0 1.0 C3C B:HEM147 4.3 31.6 1.0 C3D B:HEM147 4.4 32.5 1.0 CG2 B:VAL67 4.5 16.1 1.0 CE1 B:PHE103 4.8 26.6 1.0

Iron binding site 3 out of 4 in the Crosslinked, Deoxy Human Hemoglobin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crosslinked, Deoxy Human Hemoglobin A within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:20.5 occ:1.00 FE C:HEM142 0.0 20.5 1.0 ND C:HEM142 1.9 16.0 1.0 NE2 C:HIS87 2.0 18.5 1.0 NC C:HEM142 2.0 16.9 1.0 NA C:HEM142 2.0 16.7 1.0 NB C:HEM142 2.0 14.6 1.0 CE1 C:HIS87 2.9 18.5 1.0 C1D C:HEM142 2.9 14.2 1.0 C4C C:HEM142 3.0 16.9 1.0 CD2 C:HIS87 3.0 18.4 1.0 C4A C:HEM142 3.0 16.2 1.0 C1B C:HEM142 3.0 15.7 1.0 C4D C:HEM142 3.0 16.7 1.0 C4B C:HEM142 3.1 14.5 1.0 C1C C:HEM142 3.1 15.6 1.0 C1A C:HEM142 3.1 15.7 1.0 CHD C:HEM142 3.3 15.8 1.0 CHB C:HEM142 3.3 17.9 1.0 CHA C:HEM142 3.5 14.4 1.0 CHC C:HEM142 3.5 14.6 1.0 ND1 C:HIS87 4.0 18.2 1.0 CG C:HIS87 4.1 18.1 1.0 C2D C:HEM142 4.2 15.4 1.0 C3D C:HEM142 4.2 17.2 1.0 C3A C:HEM142 4.3 14.4 1.0 C3C C:HEM142 4.3 16.4 1.0 C2B C:HEM142 4.3 14.2 1.0 C2A C:HEM142 4.3 14.2 1.0 C3B C:HEM142 4.3 16.4 1.0 C2C C:HEM142 4.3 15.3 1.0 NE2 C:HIS58 4.6 21.8 1.0 CD1 C:LEU91 4.8 7.8 1.0 CE1 C:HIS58 4.8 22.5 1.0

Iron binding site 4 out of 4 in the Crosslinked, Deoxy Human Hemoglobin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crosslinked, Deoxy Human Hemoglobin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:16.9 occ:1.00 FE D:HEM147 0.0 16.9 1.0 NC D:HEM147 1.9 17.3 1.0 ND D:HEM147 2.0 16.6 1.0 NB D:HEM147 2.0 16.4 1.0 NA D:HEM147 2.0 17.1 1.0 NE2 D:HIS92 2.1 12.7 1.0 C1C D:HEM147 3.0 17.4 1.0 CE1 D:HIS92 3.0 11.8 1.0 C1D D:HEM147 3.0 16.5 1.0 C4C D:HEM147 3.0 15.6 1.0 C4D D:HEM147 3.1 15.9 1.0 C1B D:HEM147 3.1 18.5 1.0 C1A D:HEM147 3.1 17.9 1.0 C4A D:HEM147 3.1 16.8 1.0 C4B D:HEM147 3.1 16.5 1.0 CD2 D:HIS92 3.2 10.4 1.0 CHC D:HEM147 3.4 17.2 1.0 CHD D:HEM147 3.4 13.8 1.0 CHA D:HEM147 3.5 15.9 1.0 CHB D:HEM147 3.5 18.0 1.0 ND1 D:HIS92 4.2 10.6 1.0 C2C D:HEM147 4.2 18.4 1.0 C3C D:HEM147 4.2 17.9 1.0 C2D D:HEM147 4.3 16.8 1.0 C3A D:HEM147 4.3 16.4 1.0 NE2 D:HIS63 4.3 7.8 1.0 C2A D:HEM147 4.3 18.4 1.0 C3D D:HEM147 4.3 15.2 1.0 C2B D:HEM147 4.3 17.2 1.0 CG D:HIS92 4.3 10.0 1.0 C3B D:HEM147 4.4 16.8 1.0 CG2 D:VAL67 4.4 15.3 1.0 CE1 D:HIS63 4.5 6.8 1.0 CD1 D:LEU96 5.0 15.4 1.0

E.J.Fernandez, C.Abad-Zapatero, K.W.Olsen. Crystal Structure of Lysbeta(1)82-Lysbeta(2)82 Crosslinked Hemoglobin: A Possible Allosteric Intermediate J.Mol.Biol. V. 296 1245 2000.
ISSN: ISSN 0022-2836
PubMed: 10698631
DOI: 10.1006/JMBI.2000.3525