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Iron in PDB 4f4o: Structure of the Haptoglobin-Haemoglobin Complex

Protein crystallography data

The structure of Structure of the Haptoglobin-Haemoglobin Complex, PDB code: 4f4o was solved by C.B.F.Andersen, M.Torvund-Jensen, M.J.Nielsen, C.L.P.Oliveira, H.P.Hersleth, N.H.Andersen, J.S.Pedersen, G.R.Andersen, S.K.Moestrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.880, 197.780, 322.070, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 22.9

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the Haptoglobin-Haemoglobin Complex (pdb code 4f4o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Structure of the Haptoglobin-Haemoglobin Complex, PDB code: 4f4o:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 4f4o

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Iron binding site 1 out of 8 in the Structure of the Haptoglobin-Haemoglobin Complex


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Haptoglobin-Haemoglobin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:53.2
occ:1.00
FE A:HEM201 0.0 53.2 1.0
O1 A:OXY202 1.8 96.4 1.0
NA A:HEM201 1.9 54.0 1.0
NB A:HEM201 2.0 51.6 1.0
NE2 A:HIS87 2.1 52.2 1.0
ND A:HEM201 2.1 55.1 1.0
NC A:HEM201 2.2 52.8 1.0
O2 A:OXY202 2.7 92.2 1.0
C1A A:HEM201 2.9 55.4 1.0
C4A A:HEM201 3.0 53.5 1.0
CE1 A:HIS87 3.0 52.7 1.0
CD2 A:HIS87 3.1 52.9 1.0
C1B A:HEM201 3.1 51.4 1.0
C4D A:HEM201 3.1 56.3 1.0
C4B A:HEM201 3.1 50.7 1.0
C1D A:HEM201 3.2 55.7 1.0
C1C A:HEM201 3.2 51.8 1.0
C4C A:HEM201 3.2 53.8 1.0
CHA A:HEM201 3.3 56.5 1.0
CHB A:HEM201 3.4 52.3 1.0
CHC A:HEM201 3.5 50.6 1.0
CHD A:HEM201 3.5 55.2 1.0
ND1 A:HIS87 4.1 53.6 1.0
C2A A:HEM201 4.1 55.9 1.0
C3A A:HEM201 4.2 54.7 1.0
CG A:HIS87 4.2 53.9 1.0
C3B A:HEM201 4.3 49.8 1.0
C2B A:HEM201 4.3 50.3 1.0
NE2 A:HIS58 4.3 49.5 1.0
C3D A:HEM201 4.3 57.8 1.0
C2D A:HEM201 4.4 57.4 1.0
C2C A:HEM201 4.4 52.3 1.0
C3C A:HEM201 4.4 53.7 1.0
CE1 A:HIS58 4.5 50.6 1.0
CG2 A:VAL62 4.9 48.6 1.0

Iron binding site 2 out of 8 in 4f4o

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Iron binding site 2 out of 8 in the Structure of the Haptoglobin-Haemoglobin Complex


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Haptoglobin-Haemoglobin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:79.6
occ:1.00
FE B:HEM201 0.0 79.6 1.0
O1 B:OXY202 1.8 0.6 1.0
NA B:HEM201 2.1 81.6 1.0
NE2 B:HIS92 2.1 77.8 1.0
ND B:HEM201 2.1 81.3 1.0
NB B:HEM201 2.1 78.2 1.0
NC B:HEM201 2.1 79.5 1.0
O2 B:OXY202 2.7 0.4 1.0
CE1 B:HIS92 2.9 79.8 1.0
C1A B:HEM201 3.1 84.3 1.0
C4D B:HEM201 3.1 83.7 1.0
C4B B:HEM201 3.1 78.5 1.0
C1D B:HEM201 3.1 80.9 1.0
C4A B:HEM201 3.1 81.6 1.0
C4C B:HEM201 3.1 79.5 1.0
C1C B:HEM201 3.1 79.6 1.0
C1B B:HEM201 3.1 78.1 1.0
CD2 B:HIS92 3.2 79.3 1.0
CHA B:HEM201 3.4 85.4 1.0
CHD B:HEM201 3.4 79.7 1.0
CHC B:HEM201 3.5 79.5 1.0
CHB B:HEM201 3.5 79.7 1.0
ND1 B:HIS92 4.1 82.1 1.0
NE2 B:HIS63 4.2 83.1 1.0
CG B:HIS92 4.3 81.6 1.0
C3A B:HEM201 4.3 84.8 1.0
C2A B:HEM201 4.3 86.8 1.0
C3D B:HEM201 4.3 85.0 1.0
C2D B:HEM201 4.3 82.9 1.0
C3B B:HEM201 4.3 77.7 1.0
C3C B:HEM201 4.3 79.6 1.0
C2C B:HEM201 4.4 79.9 1.0
C2B B:HEM201 4.4 77.0 1.0
CE1 B:HIS63 4.7 85.7 1.0

Iron binding site 3 out of 8 in 4f4o

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Iron binding site 3 out of 8 in the Structure of the Haptoglobin-Haemoglobin Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Haptoglobin-Haemoglobin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:50.9
occ:1.00
FE D:HEM201 0.0 50.9 1.0
O1 D:OXY202 1.8 88.8 1.0
NA D:HEM201 2.0 51.6 1.0
NB D:HEM201 2.0 49.0 1.0
NE2 D:HIS87 2.1 38.2 1.0
NC D:HEM201 2.1 50.5 1.0
ND D:HEM201 2.1 53.5 1.0
O2 D:OXY202 2.7 84.8 1.0
C1A D:HEM201 3.0 52.8 1.0
C4A D:HEM201 3.0 50.9 1.0
CD2 D:HIS87 3.1 39.8 1.0
CE1 D:HIS87 3.1 40.0 1.0
C4B D:HEM201 3.1 47.9 1.0
C1B D:HEM201 3.1 49.0 1.0
C4D D:HEM201 3.1 54.6 1.0
C1C D:HEM201 3.1 48.9 1.0
C4C D:HEM201 3.1 51.9 1.0
C1D D:HEM201 3.1 54.6 1.0
CHA D:HEM201 3.4 54.2 1.0
CHB D:HEM201 3.4 49.9 1.0
CHC D:HEM201 3.4 47.8 1.0
CHD D:HEM201 3.5 54.0 1.0
ND1 D:HIS87 4.2 43.2 1.0
C2A D:HEM201 4.2 52.3 1.0
CG D:HIS87 4.2 43.1 1.0
C3A D:HEM201 4.2 51.3 1.0
NE2 D:HIS58 4.3 50.0 1.0
C3B D:HEM201 4.3 47.3 1.0
C2B D:HEM201 4.3 48.1 1.0
C3D D:HEM201 4.3 56.3 1.0
C2C D:HEM201 4.3 49.3 1.0
C3C D:HEM201 4.3 51.2 1.0
C2D D:HEM201 4.4 56.6 1.0
CE1 D:HIS58 4.5 50.9 1.0
CG2 D:VAL62 5.0 46.9 1.0

Iron binding site 4 out of 8 in 4f4o

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Iron binding site 4 out of 8 in the Structure of the Haptoglobin-Haemoglobin Complex


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Haptoglobin-Haemoglobin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe201

b:98.8
occ:1.00
FE E:HEM201 0.0 98.8 1.0
O1 E:OXY202 1.8 0.3 1.0
NB E:HEM201 2.0 99.3 1.0
NE2 E:HIS92 2.1 80.5 1.0
NA E:HEM201 2.1 0.1 1.0
NC E:HEM201 2.1 97.4 1.0
ND E:HEM201 2.1 99.8 1.0
O2 E:OXY202 2.7 0.7 1.0
CE1 E:HIS92 2.9 83.0 1.0
C4B E:HEM201 3.0 98.9 1.0
C1B E:HEM201 3.1 0.3 1.0
C1C E:HEM201 3.1 97.1 1.0
C1A E:HEM201 3.1 0.8 1.0
C4A E:HEM201 3.1 0.1 1.0
C4C E:HEM201 3.1 96.8 1.0
C4D E:HEM201 3.1 0.8 1.0
C1D E:HEM201 3.1 98.8 1.0
CD2 E:HIS92 3.2 79.9 1.0
CHC E:HEM201 3.4 97.9 1.0
CHA E:HEM201 3.4 0.1 1.0
CHB E:HEM201 3.5 0.7 1.0
CHD E:HEM201 3.5 97.1 1.0
ND1 E:HIS92 4.1 84.3 1.0
CG E:HIS92 4.2 82.3 1.0
C3B E:HEM201 4.3 0.0 1.0
NE2 E:HIS63 4.3 94.4 1.0
C2B E:HEM201 4.3 0.9 1.0
C2C E:HEM201 4.3 96.1 1.0
C3A E:HEM201 4.3 0.7 1.0
C3C E:HEM201 4.3 96.1 1.0
C2A E:HEM201 4.3 0.8 1.0
C3D E:HEM201 4.4 0.8 1.0
C2D E:HEM201 4.4 0.9 1.0
CE1 E:HIS63 4.7 96.9 1.0

Iron binding site 5 out of 8 in 4f4o

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Iron binding site 5 out of 8 in the Structure of the Haptoglobin-Haemoglobin Complex


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of the Haptoglobin-Haemoglobin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe201

b:56.6
occ:1.00
FE G:HEM201 0.0 56.6 1.0
O1 G:OXY202 1.8 0.9 1.0
NA G:HEM201 2.0 58.1 1.0
NC G:HEM201 2.0 55.3 1.0
NE2 G:HIS87 2.1 50.6 1.0
NB G:HEM201 2.1 54.4 1.0
ND G:HEM201 2.1 59.0 1.0
O2 G:OXY202 2.7 0.6 1.0
C1A G:HEM201 3.0 60.1 1.0
CD2 G:HIS87 3.0 51.4 1.0
C4C G:HEM201 3.1 56.2 1.0
C1C G:HEM201 3.1 52.9 1.0
CE1 G:HIS87 3.1 51.2 1.0
C4D G:HEM201 3.1 60.8 1.0
C4B G:HEM201 3.1 52.4 1.0
C4A G:HEM201 3.1 57.7 1.0
C1D G:HEM201 3.1 59.3 1.0
C1B G:HEM201 3.1 54.4 1.0
CHA G:HEM201 3.4 61.4 1.0
CHC G:HEM201 3.4 50.5 1.0
CHD G:HEM201 3.5 58.1 1.0
CHB G:HEM201 3.5 56.0 1.0
ND1 G:HIS87 4.2 51.9 1.0
CG G:HIS87 4.2 52.2 1.0
C2A G:HEM201 4.3 61.1 1.0
C3C G:HEM201 4.3 55.0 1.0
C3A G:HEM201 4.3 59.6 1.0
C2C G:HEM201 4.3 52.3 1.0
C3B G:HEM201 4.3 50.0 1.0
C3D G:HEM201 4.3 62.2 1.0
NE2 G:HIS58 4.3 56.4 1.0
C2B G:HEM201 4.3 52.5 1.0
C2D G:HEM201 4.3 61.3 1.0
CE1 G:HIS58 4.5 58.5 1.0

Iron binding site 6 out of 8 in 4f4o

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Iron binding site 6 out of 8 in the Structure of the Haptoglobin-Haemoglobin Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of the Haptoglobin-Haemoglobin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe201

b:86.8
occ:1.00
FE H:HEM201 0.0 86.8 1.0
O1 H:OXY202 1.8 0.6 1.0
NE2 H:HIS92 2.1 88.4 1.0
NB H:HEM201 2.1 85.3 1.0
NC H:HEM201 2.1 85.6 1.0
NA H:HEM201 2.1 89.1 1.0
ND H:HEM201 2.1 88.4 1.0
O2 H:OXY202 2.7 0.6 1.0
CE1 H:HIS92 2.9 90.3 1.0
C4B H:HEM201 3.0 85.2 1.0
C1C H:HEM201 3.1 85.5 1.0
C4C H:HEM201 3.1 85.5 1.0
C1A H:HEM201 3.1 91.5 1.0
C1B H:HEM201 3.1 85.8 1.0
C4A H:HEM201 3.1 89.3 1.0
C1D H:HEM201 3.1 87.8 1.0
C4D H:HEM201 3.1 90.7 1.0
CD2 H:HIS92 3.2 88.7 1.0
CHC H:HEM201 3.4 85.6 1.0
CHA H:HEM201 3.4 92.3 1.0
CHD H:HEM201 3.5 86.0 1.0
CHB H:HEM201 3.5 87.5 1.0
ND1 H:HIS92 4.1 92.0 1.0
CG H:HIS92 4.2 90.8 1.0
NE2 H:HIS63 4.3 96.4 1.0
C3B H:HEM201 4.3 84.9 1.0
C2B H:HEM201 4.3 84.6 1.0
C2C H:HEM201 4.3 85.2 1.0
C3C H:HEM201 4.3 85.1 1.0
C3A H:HEM201 4.3 91.9 1.0
C2A H:HEM201 4.3 93.3 1.0
C2D H:HEM201 4.4 89.5 1.0
C3D H:HEM201 4.4 91.7 1.0
CE1 H:HIS63 4.7 99.0 1.0

Iron binding site 7 out of 8 in 4f4o

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Iron binding site 7 out of 8 in the Structure of the Haptoglobin-Haemoglobin Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of the Haptoglobin-Haemoglobin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Fe201

b:0.9
occ:1.00
FE J:HEM201 0.0 0.9 1.0
O1 J:OXY202 1.8 0.3 1.0
NA J:HEM201 2.0 0.1 1.0
ND J:HEM201 2.1 1.0 1.0
NE2 J:HIS87 2.1 0.0 1.0
NB J:HEM201 2.1 0.1 1.0
NC J:HEM201 2.1 0.8 1.0
O2 J:OXY202 2.7 0.5 1.0
C1A J:HEM201 3.0 0.7 1.0
C4D J:HEM201 3.1 0.7 1.0
C4A J:HEM201 3.1 0.9 1.0
CD2 J:HIS87 3.1 0.8 1.0
CE1 J:HIS87 3.1 0.2 1.0
C1D J:HEM201 3.1 0.5 1.0
C4C J:HEM201 3.1 0.5 1.0
C4B J:HEM201 3.1 0.6 1.0
C1B J:HEM201 3.1 0.9 1.0
C1C J:HEM201 3.1 0.5 1.0
CHA J:HEM201 3.4 0.4 1.0
CHD J:HEM201 3.5 0.8 1.0
CHB J:HEM201 3.5 0.7 1.0
CHC J:HEM201 3.5 0.8 1.0
ND1 J:HIS87 4.2 0.2 1.0
C2A J:HEM201 4.2 0.8 1.0
CG J:HIS87 4.2 0.2 1.0
C3A J:HEM201 4.2 0.9 1.0
NE2 J:HIS58 4.3 0.2 1.0
C3D J:HEM201 4.3 0.8 1.0
C2D J:HEM201 4.3 0.9 1.0
C3C J:HEM201 4.3 0.0 1.0
C3B J:HEM201 4.3 0.1 1.0
C2C J:HEM201 4.3 0.1 1.0
C2B J:HEM201 4.3 0.9 1.0
CE1 J:HIS58 4.5 0.5 1.0
CG2 J:VAL62 4.9 0.4 1.0

Iron binding site 8 out of 8 in 4f4o

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Iron binding site 8 out of 8 in the Structure of the Haptoglobin-Haemoglobin Complex


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of the Haptoglobin-Haemoglobin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Fe201

b:0.7
occ:1.00
FE K:HEM201 0.0 0.7 1.0
O1 K:OXY202 1.8 0.4 1.0
NA K:HEM201 2.0 0.3 1.0
NE2 K:HIS92 2.1 0.1 1.0
ND K:HEM201 2.1 0.7 1.0
NB K:HEM201 2.1 0.9 1.0
NC K:HEM201 2.1 0.3 1.0
O2 K:OXY202 2.7 0.6 1.0
CE1 K:HIS92 2.9 0.9 1.0
C1A K:HEM201 3.0 0.2 1.0
C4D K:HEM201 3.0 1.0 1.0
C4A K:HEM201 3.1 1.0 1.0
C1D K:HEM201 3.1 0.3 1.0
C4B K:HEM201 3.1 0.8 1.0
C1C K:HEM201 3.1 0.6 1.0
C1B K:HEM201 3.2 0.4 1.0
CD2 K:HIS92 3.2 0.3 1.0
C4C K:HEM201 3.2 0.8 1.0
CHA K:HEM201 3.3 0.7 1.0
CHC K:HEM201 3.5 0.6 1.0
CHB K:HEM201 3.5 0.7 1.0
CHD K:HEM201 3.5 0.7 1.0
ND1 K:HIS92 4.1 0.7 1.0
C2A K:HEM201 4.2 0.8 1.0
CG K:HIS92 4.2 0.8 1.0
C3D K:HEM201 4.3 0.7 1.0
C3A K:HEM201 4.3 0.9 1.0
NE2 K:HIS63 4.3 0.3 1.0
C2D K:HEM201 4.3 0.7 1.0
C3B K:HEM201 4.4 0.1 1.0
C2B K:HEM201 4.4 0.2 1.0
C2C K:HEM201 4.4 0.0 1.0
C3C K:HEM201 4.4 0.4 1.0
CE1 K:HIS63 4.9 1.0 1.0

Reference:

C.B.Andersen, M.Torvund-Jensen, M.J.Nielsen, C.L.De Oliveira, H.P.Hersleth, N.H.Andersen, J.S.Pedersen, G.R.Andersen, S.K.Moestrup. Structure of the Haptoglobin-Haemoglobin Complex. Nature V. 489 456 2012.
ISSN: ISSN 0028-0836
PubMed: 22922649
DOI: 10.1038/NATURE11369
Page generated: Sun Dec 13 15:33:38 2020

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