Iron in PDB 1i3e: Human Azido-Met Hemoglobin Bart'S (GAMMA4)

The structure of Human Azido-Met Hemoglobin Bart'S (GAMMA4), PDB code: 1i3e was solved by R.D.Kidd, H.M.Baker, A.J.Mathews, T.Brittain, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.86
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.541, 81.625, 53.036, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22

The binding sites of Iron atom in the Human Azido-Met Hemoglobin Bart'S (GAMMA4) (pdb code 1i3e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Human Azido-Met Hemoglobin Bart'S (GAMMA4), PDB code: 1i3e:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Human Azido-Met Hemoglobin Bart'S (GAMMA4)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Azido-Met Hemoglobin Bart'S (GAMMA4) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:12.4 occ:1.00 FE A:HEM147 0.0 12.4 1.0 NA A:HEM147 2.0 11.3 1.0 NB A:HEM147 2.0 9.4 1.0 NC A:HEM147 2.0 10.3 1.0 ND A:HEM147 2.0 10.7 1.0 NE2 A:HIS92 2.1 9.7 1.0 N1 A:AZI148 2.2 13.8 1.0 N2 A:AZI148 2.9 15.6 1.0 C1C A:HEM147 3.0 11.5 1.0 C4B A:HEM147 3.0 11.3 1.0 C4D A:HEM147 3.0 13.2 1.0 C1A A:HEM147 3.0 13.6 1.0 C4C A:HEM147 3.0 12.4 1.0 C1B A:HEM147 3.0 9.6 1.0 C4A A:HEM147 3.0 11.4 1.0 C1D A:HEM147 3.0 11.0 1.0 CD2 A:HIS92 3.1 9.2 1.0 CE1 A:HIS92 3.2 9.8 1.0 CHA A:HEM147 3.4 12.8 1.0 CHB A:HEM147 3.4 9.8 1.0 CHC A:HEM147 3.4 11.1 1.0 CHD A:HEM147 3.5 13.1 1.0 N3 A:AZI148 3.9 17.2 1.0 NE2 A:HIS63 4.2 11.8 1.0 C3A A:HEM147 4.2 13.1 1.0 CG A:HIS92 4.2 9.4 1.0 C2B A:HEM147 4.2 8.6 1.0 C2A A:HEM147 4.3 12.2 1.0 C3B A:HEM147 4.3 10.1 1.0 ND1 A:HIS92 4.3 9.5 1.0 C3C A:HEM147 4.3 11.7 1.0 C2C A:HEM147 4.3 10.8 1.0 C2D A:HEM147 4.3 16.0 1.0 C3D A:HEM147 4.3 11.7 1.0 CG2 A:VAL67 4.7 9.1 1.0 CE1 A:HIS63 5.0 11.4 1.0

Iron binding site 2 out of 2 in the Human Azido-Met Hemoglobin Bart'S (GAMMA4)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Azido-Met Hemoglobin Bart'S (GAMMA4) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:14.7 occ:1.00 FE B:HEM147 0.0 14.7 1.0 NB B:HEM147 2.0 11.9 1.0 NA B:HEM147 2.0 13.3 1.0 ND B:HEM147 2.0 12.7 1.0 NC B:HEM147 2.0 10.9 1.0 NE2 B:HIS92 2.1 14.1 1.0 N1 B:AZI148 2.2 14.0 1.0 N2 B:AZI148 2.9 15.0 1.0 C1A B:HEM147 3.0 13.9 1.0 C4D B:HEM147 3.0 14.2 1.0 C4B B:HEM147 3.0 13.0 1.0 C1C B:HEM147 3.0 11.3 1.0 C1B B:HEM147 3.0 14.0 1.0 C4A B:HEM147 3.0 14.4 1.0 C4C B:HEM147 3.0 13.9 1.0 CD2 B:HIS92 3.1 12.6 1.0 C1D B:HEM147 3.1 12.5 1.0 CE1 B:HIS92 3.1 12.6 1.0 CHB B:HEM147 3.4 13.5 1.0 CHA B:HEM147 3.4 14.2 1.0 CHD B:HEM147 3.4 11.0 1.0 CHC B:HEM147 3.5 12.0 1.0 N3 B:AZI148 4.0 16.0 1.0 C3A B:HEM147 4.2 16.0 1.0 CG B:HIS92 4.2 12.9 1.0 C2B B:HEM147 4.2 13.8 1.0 C2A B:HEM147 4.2 15.0 1.0 ND1 B:HIS92 4.3 12.8 1.0 NE2 B:HIS63 4.3 14.6 1.0 C3B B:HEM147 4.3 13.9 1.0 C3C B:HEM147 4.3 12.9 1.0 C3D B:HEM147 4.3 12.9 1.0 C2C B:HEM147 4.3 12.1 1.0 C2D B:HEM147 4.4 15.8 1.0 CG2 B:VAL67 4.7 10.1 1.0

R.D.Kidd, H.M.Baker, A.J.Mathews, T.Brittain, E.N.Baker. Oligomerization and Ligand Binding in A Homotetrameric Hemoglobin: Two High-Resolution Crystal Structures of Hemoglobin Bart'S (Gamma(4)), A Marker For Alpha-Thalassemia. Protein Sci. V. 10 1739 2001.
ISSN: ISSN 0961-8368
PubMed: 11514664
DOI: 10.1110/PS.11701