Iron in PDB 1hds: Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin

The structure of Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin, PDB code: 1hds was solved by E.L.Amma, R.L.Girling, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.98
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	163.500, 70.830, 65.950, 90.00, 94.15, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin (pdb code 1hds). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin, PDB code: 1hds:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:12.0 occ:1.00 FE A:HEM142 0.0 12.0 1.0 ND A:HEM142 1.9 12.3 1.0 NB A:HEM142 1.9 11.4 1.0 NE2 A:HIS87 1.9 9.3 1.0 NA A:HEM142 2.0 11.9 1.0 NC A:HEM142 2.0 11.6 1.0 C4A A:HEM142 2.8 11.9 1.0 CE1 A:HIS87 2.9 9.4 1.0 C1A A:HEM142 2.9 12.1 1.0 CD2 A:HIS87 2.9 9.8 1.0 C4D A:HEM142 3.0 12.5 1.0 C1D A:HEM142 3.0 12.4 1.0 C1C A:HEM142 3.1 11.5 1.0 C4B A:HEM142 3.1 11.2 1.0 C4C A:HEM142 3.2 11.7 1.0 CHC A:HEM142 3.2 11.5 1.0 CHA A:HEM142 3.3 12.4 1.0 C1B A:HEM142 3.4 11.2 1.0 CHD A:HEM142 3.4 12.0 1.0 CHB A:HEM142 3.5 11.5 1.0 CG A:HIS87 3.6 9.9 1.0 C3A A:HEM142 4.2 12.0 1.0 ND1 A:HIS87 4.2 9.9 1.0 C2A A:HEM142 4.3 11.9 1.0 C2B A:HEM142 4.3 10.8 1.0 C2C A:HEM142 4.3 11.4 1.0 NE2 A:HIS58 4.4 14.1 1.0 C3D A:HEM142 4.4 13.0 1.0 CE1 A:HIS58 4.4 14.0 1.0 C2D A:HEM142 4.5 12.8 1.0 C3B A:HEM142 4.5 10.9 1.0 C3C A:HEM142 4.5 11.4 1.0 CG2 A:VAL62 5.0 14.7 1.0

Iron binding site 2 out of 4 in the Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe146 b:11.2 occ:1.00 FE B:HEM146 0.0 11.2 1.0 ND B:HEM146 1.9 11.6 1.0 NB B:HEM146 2.0 11.3 1.0 NA B:HEM146 2.1 11.6 1.0 NC B:HEM146 2.1 11.2 1.0 NE2 B:HIS91 2.1 12.4 1.0 CE1 B:HIS91 2.7 12.2 1.0 C4D B:HEM146 2.8 11.4 1.0 C4B B:HEM146 2.9 10.7 1.0 C1C B:HEM146 2.9 11.1 1.0 C1D B:HEM146 3.0 11.6 1.0 C4A B:HEM146 3.0 11.7 1.0 C1A B:HEM146 3.1 11.9 1.0 C1B B:HEM146 3.1 11.1 1.0 C4C B:HEM146 3.1 10.9 1.0 CHD B:HEM146 3.3 11.2 1.0 CHC B:HEM146 3.3 11.1 1.0 CHB B:HEM146 3.6 11.5 1.0 CD2 B:HIS91 3.7 12.6 1.0 CHA B:HEM146 3.8 11.6 1.0 ND1 B:HIS91 4.1 12.5 1.0 NE2 B:HIS62 4.2 18.1 1.0 C2B B:HEM146 4.3 11.0 1.0 C3C B:HEM146 4.3 10.7 1.0 C3A B:HEM146 4.4 11.9 1.0 C3B B:HEM146 4.4 10.8 1.0 C2C B:HEM146 4.4 10.9 1.0 C2D B:HEM146 4.4 11.7 1.0 CE1 B:HIS62 4.4 18.0 1.0 C3D B:HEM146 4.4 11.7 1.0 C2A B:HEM146 4.5 12.1 1.0 CG B:HIS91 4.8 12.9 1.0 CG2 B:VAL66 4.8 11.2 1.0

Iron binding site 3 out of 4 in the Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:12.2 occ:1.00 FE C:HEM142 0.0 12.2 1.0 NC C:HEM142 1.8 12.9 1.0 NB C:HEM142 2.0 12.5 1.0 NA C:HEM142 2.1 12.1 1.0 ND C:HEM142 2.2 12.7 1.0 NE2 C:HIS87 2.3 15.6 1.0 C1C C:HEM142 2.8 12.8 1.0 C1D C:HEM142 3.0 12.9 1.0 C4C C:HEM142 3.0 13.0 1.0 C4B C:HEM142 3.0 12.4 1.0 CD2 C:HIS87 3.1 15.2 1.0 CHC C:HEM142 3.1 12.8 1.0 C4A C:HEM142 3.2 11.9 1.0 C1A C:HEM142 3.3 12.0 1.0 CHD C:HEM142 3.3 12.9 1.0 C1B C:HEM142 3.3 12.5 1.0 C4D C:HEM142 3.4 12.6 1.0 CE1 C:HIS87 3.6 15.5 1.0 CHA C:HEM142 3.9 12.3 1.0 CHB C:HEM142 4.0 12.2 1.0 C3B C:HEM142 4.0 12.6 1.0 C2D C:HEM142 4.1 13.1 1.0 CE1 C:HIS58 4.1 15.0 1.0 C3C C:HEM142 4.1 12.9 1.0 CG C:HIS87 4.1 15.3 1.0 NE2 C:HIS58 4.2 15.2 1.0 C3A C:HEM142 4.3 11.6 1.0 C3D C:HEM142 4.3 12.6 1.0 C2B C:HEM142 4.3 12.4 1.0 C2A C:HEM142 4.3 11.5 1.0 C2C C:HEM142 4.3 12.8 1.0 CG2 C:VAL62 4.6 13.5 1.0 ND1 C:HIS87 4.7 15.5 1.0 CZ C:PHE43 5.0 15.0 1.0

Iron binding site 4 out of 4 in the Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Macromolecular Structure Refinement By Restrained Least- Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe146 b:12.8 occ:1.00 FE D:HEM146 0.0 12.8 1.0 ND D:HEM146 1.9 13.7 1.0 NC D:HEM146 2.0 13.2 1.0 NB D:HEM146 2.0 12.4 1.0 NA D:HEM146 2.0 12.7 1.0 NE2 D:HIS91 2.7 13.0 1.0 C4C D:HEM146 2.9 13.5 1.0 C1C D:HEM146 3.1 13.3 1.0 C1A D:HEM146 3.1 12.7 1.0 C4D D:HEM146 3.2 14.0 1.0 C4B D:HEM146 3.2 12.4 1.0 C1D D:HEM146 3.3 14.0 1.0 CHD D:HEM146 3.3 13.8 1.0 CHC D:HEM146 3.3 12.4 1.0 CE1 D:HIS91 3.4 13.1 1.0 C4A D:HEM146 3.4 12.6 1.0 CHA D:HEM146 3.4 13.2 1.0 C1B D:HEM146 3.5 12.3 1.0 CD2 D:HIS91 3.7 13.0 1.0 CHB D:HEM146 3.9 12.3 1.0 C3A D:HEM146 4.1 12.6 1.0 C2A D:HEM146 4.2 12.2 1.0 C2B D:HEM146 4.3 12.4 1.0 C3B D:HEM146 4.3 12.2 1.0 C2D D:HEM146 4.4 14.0 1.0 ND1 D:HIS91 4.5 13.1 1.0 C2C D:HEM146 4.5 13.7 1.0 C3C D:HEM146 4.5 13.9 1.0 C3D D:HEM146 4.6 14.2 1.0 CG D:HIS91 4.6 12.9 1.0 NE2 D:HIS62 4.9 10.5 1.0

R.L.Girling, T.E.Houston, W.C.Schmidtjunior, E.L.Amma. Macromolecular Structure Refinement By Restrained Least-Squares and Interactive Graphics As Applied to Sickling Deer Type III Hemoglobin Acta Crystallogr.,Sect.A V. 36 43 1980.
ISSN: ISSN 0108-7673