Iron in PDB 4x0l: Human Haptoglobin-Haemoglobin Complex

The structure of Human Haptoglobin-Haemoglobin Complex, PDB code: 4x0l was solved by H.Lane-Serff, P.Macgregor, E.D.Lowe, M.Carrington, M.K.Higgins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.93 / 2.05
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.599, 96.599, 132.771, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 22.4

The structure of Human Haptoglobin-Haemoglobin Complex also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Iron atom in the Human Haptoglobin-Haemoglobin Complex (pdb code 4x0l). 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 Haptoglobin-Haemoglobin Complex, PDB code: 4x0l:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Human Haptoglobin-Haemoglobin Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Haptoglobin-Haemoglobin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:15.6 occ:1.00 FE A:HEM201 0.0 15.6 1.0 ND A:HEM201 1.9 15.6 1.0 NA A:HEM201 2.0 14.2 1.0 NC A:HEM201 2.0 13.5 1.0 O1 A:OXY202 2.0 31.5 1.0 NB A:HEM201 2.1 13.1 1.0 NE2 A:HIS88 2.1 18.6 1.0 O2 A:OXY202 2.7 48.2 1.0 C1D A:HEM201 2.9 14.3 1.0 C4D A:HEM201 3.0 14.1 1.0 C4A A:HEM201 3.0 15.3 1.0 C4C A:HEM201 3.0 14.5 1.0 C1A A:HEM201 3.0 15.6 1.0 C1B A:HEM201 3.0 14.4 1.0 C4B A:HEM201 3.0 12.4 1.0 C1C A:HEM201 3.0 13.7 1.0 CE1 A:HIS88 3.1 19.8 1.0 CD2 A:HIS88 3.2 16.2 1.0 CHD A:HEM201 3.3 15.9 1.0 CHB A:HEM201 3.4 14.7 1.0 CHA A:HEM201 3.4 14.5 1.0 CHC A:HEM201 3.4 12.5 1.0 C3A A:HEM201 4.2 16.7 1.0 C2A A:HEM201 4.2 17.8 1.0 C2C A:HEM201 4.2 14.3 1.0 C2D A:HEM201 4.2 15.4 1.0 ND1 A:HIS88 4.2 18.3 1.0 NE2 A:HIS59 4.2 19.9 1.0 C3C A:HEM201 4.2 15.0 1.0 C3D A:HEM201 4.3 14.6 1.0 C2B A:HEM201 4.3 14.1 1.0 CG A:HIS88 4.3 15.5 1.0 C3B A:HEM201 4.3 12.2 1.0 CE1 A:HIS59 4.7 19.6 1.0 CG2 A:VAL63 4.8 15.9 1.0

Iron binding site 2 out of 2 in the Human Haptoglobin-Haemoglobin Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Haptoglobin-Haemoglobin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:22.1 occ:1.00 FE B:HEM201 0.0 22.1 1.0 O1 B:OXY202 1.6 23.4 1.0 ND B:HEM201 1.9 21.0 1.0 NA B:HEM201 2.0 23.9 1.0 NB B:HEM201 2.1 24.0 1.0 NC B:HEM201 2.1 19.9 1.0 NE2 B:HIS93 2.1 24.7 1.0 O2 B:OXY202 2.5 29.5 1.0 C1D B:HEM201 2.9 24.7 1.0 C4D B:HEM201 3.0 25.8 1.0 C1B B:HEM201 3.0 26.0 1.0 C4C B:HEM201 3.0 20.9 1.0 C4A B:HEM201 3.0 26.6 1.0 C4B B:HEM201 3.0 24.8 1.0 C1A B:HEM201 3.0 24.3 1.0 CD2 B:HIS93 3.1 24.8 1.0 CE1 B:HIS93 3.1 27.4 1.0 C1C B:HEM201 3.1 19.8 1.0 CHD B:HEM201 3.4 22.8 1.0 CHB B:HEM201 3.4 26.0 1.0 CHA B:HEM201 3.4 24.1 1.0 CHC B:HEM201 3.4 20.4 1.0 ND1 B:HIS93 4.2 27.0 1.0 CG B:HIS93 4.2 25.2 1.0 C2D B:HEM201 4.2 26.4 1.0 C3D B:HEM201 4.2 28.4 1.0 NE2 B:HIS64 4.2 25.9 1.0 C3A B:HEM201 4.3 27.7 1.0 C2A B:HEM201 4.3 28.2 1.0 C2B B:HEM201 4.3 26.8 1.0 C2C B:HEM201 4.3 19.7 1.0 C3C B:HEM201 4.3 20.3 1.0 C3B B:HEM201 4.3 27.1 1.0 CE1 B:HIS64 4.7 28.3 1.0 CG2 B:VAL68 4.8 27.0 1.0

H.Lane-Serff, P.Macgregor, E.Lowe, M.Carrington, M.Higgins. Structural Basis For Ligand and Innate Immunity Factor Uptake By the Trypanosome Haptoglobin-Haemoglobin Receptor. Elife V. 3 2014.
ISSN: ESSN 2050-084X
PubMed: 25497229
DOI: 10.7554/ELIFE.05553