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Iron in PDB 4x0l: Human Haptoglobin-Haemoglobin Complex

Protein crystallography data

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

Other elements in 4x0l:

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

Arsenic (As) 1 atom

Iron Binding Sites:

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 4x0l

Go back to Iron Binding Sites List in 4x0l
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 4x0l

Go back to Iron Binding Sites List in 4x0l
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

Reference:

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
Page generated: Sun Dec 13 15:51:34 2020

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