Iron in PDB 4wjg: Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin

The structure of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin, PDB code: 4wjg was solved by K.Stoedkilde, M.Torvund-Jensen, S.K.Moestrup, C.B.F.Andersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.00 / 3.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	143.230, 140.950, 267.180, 90.00, 98.54, 90.00
R / Rfree (%)	25.5 / 27.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin (pdb code 4wjg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin, PDB code: 4wjg:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:55.2 occ:1.00 FE A:HEM201 0.0 55.2 1.0 NA A:HEM201 2.0 55.5 1.0 NB A:HEM201 2.0 53.9 1.0 NC A:HEM201 2.1 55.0 1.0 ND A:HEM201 2.1 56.6 1.0 NE2 A:HIS87 2.4 55.4 1.0 O1 A:OXY202 2.4 61.9 1.0 O2 A:OXY202 2.7 62.2 1.0 CD2 A:HIS87 2.9 55.9 1.0 C4A A:HEM201 3.0 54.9 1.0 C1B A:HEM201 3.0 53.5 1.0 C4C A:HEM201 3.0 55.7 1.0 C1D A:HEM201 3.1 57.0 1.0 C4B A:HEM201 3.1 53.4 1.0 C1A A:HEM201 3.1 56.4 1.0 C4D A:HEM201 3.1 57.3 1.0 C1C A:HEM201 3.2 54.2 1.0 CHB A:HEM201 3.3 54.0 1.0 CHD A:HEM201 3.4 56.5 1.0 CHA A:HEM201 3.5 57.2 1.0 CHC A:HEM201 3.6 53.5 1.0 CE1 A:HIS87 3.6 55.8 1.0 CG A:HIS87 4.2 56.7 1.0 C2B A:HEM201 4.2 52.8 1.0 C3A A:HEM201 4.2 55.4 1.0 C3B A:HEM201 4.3 52.7 1.0 C2A A:HEM201 4.3 56.3 1.0 C3C A:HEM201 4.3 55.4 1.0 C2D A:HEM201 4.3 58.1 1.0 C2C A:HEM201 4.4 54.5 1.0 C3D A:HEM201 4.4 58.3 1.0 ND1 A:HIS87 4.5 56.6 1.0 NE2 A:HIS58 4.9 60.3 1.0

Iron binding site 2 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:49.1 occ:1.00 FE B:HEM201 0.0 49.1 1.0 ND B:HEM201 2.1 49.3 1.0 NC B:HEM201 2.1 46.0 1.0 NA B:HEM201 2.1 52.7 1.0 NB B:HEM201 2.1 48.8 1.0 NE2 B:HIS92 2.4 52.6 1.0 O2 B:OXY202 2.7 49.9 1.0 O1 B:OXY202 2.9 51.1 1.0 C4C B:HEM201 2.9 45.1 1.0 C1D B:HEM201 2.9 47.4 1.0 C1B B:HEM201 3.0 51.1 1.0 C4A B:HEM201 3.0 54.0 1.0 CD2 B:HIS92 3.0 50.9 1.0 C4D B:HEM201 3.2 51.2 1.0 C1C B:HEM201 3.2 45.1 1.0 CHD B:HEM201 3.2 45.7 1.0 C1A B:HEM201 3.2 54.6 1.0 C4B B:HEM201 3.3 47.7 1.0 CHB B:HEM201 3.3 53.3 1.0 CE1 B:HIS92 3.5 55.6 1.0 CHA B:HEM201 3.6 53.8 1.0 CHC B:HEM201 3.7 45.9 1.0 C3C B:HEM201 4.2 43.6 1.0 C2D B:HEM201 4.2 47.9 1.0 CG B:HIS92 4.2 52.8 1.0 C2C B:HEM201 4.3 43.6 1.0 C2B B:HEM201 4.3 51.4 1.0 C3A B:HEM201 4.3 56.8 1.0 C3D B:HEM201 4.3 50.3 1.0 C3B B:HEM201 4.4 49.4 1.0 C2A B:HEM201 4.4 57.3 1.0 ND1 B:HIS92 4.4 55.7 1.0 NE2 B:HIS63 5.0 57.8 1.0

Iron binding site 3 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe201 b:64.4 occ:1.00 FE F:HEM201 0.0 64.4 1.0 NB F:HEM201 2.0 61.7 1.0 NC F:HEM201 2.0 63.6 1.0 NA F:HEM201 2.1 65.6 1.0 ND F:HEM201 2.2 67.5 1.0 NE2 F:HIS87 2.4 68.0 1.0 O1 F:OXY202 2.5 72.2 1.0 O2 F:OXY202 2.7 72.9 1.0 C1B F:HEM201 3.0 61.2 1.0 C4C F:HEM201 3.0 64.8 1.0 CD2 F:HIS87 3.0 67.4 1.0 C4B F:HEM201 3.0 60.3 1.0 C4A F:HEM201 3.0 64.5 1.0 C1D F:HEM201 3.1 68.1 1.0 C1C F:HEM201 3.1 61.8 1.0 C4D F:HEM201 3.2 69.5 1.0 C1A F:HEM201 3.2 67.8 1.0 CHB F:HEM201 3.3 62.5 1.0 CHD F:HEM201 3.4 66.9 1.0 CHC F:HEM201 3.5 60.3 1.0 CHA F:HEM201 3.6 69.5 1.0 CE1 F:HIS87 3.6 69.8 1.0 C2B F:HEM201 4.2 59.4 1.0 C3B F:HEM201 4.2 58.8 1.0 C3C F:HEM201 4.3 63.6 1.0 C3A F:HEM201 4.3 66.0 1.0 C2C F:HEM201 4.3 61.8 1.0 CG F:HIS87 4.3 68.9 1.0 C2D F:HEM201 4.4 70.7 1.0 C2A F:HEM201 4.4 68.0 1.0 C3D F:HEM201 4.4 71.6 1.0 ND1 F:HIS87 4.6 70.5 1.0 NE2 F:HIS58 4.8 70.3 1.0 CE1 F:HIS58 4.9 73.0 1.0

Iron binding site 4 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:58.3 occ:1.00 FE G:HEM201 0.0 58.3 1.0 NC G:HEM201 2.0 56.3 1.0 ND G:HEM201 2.1 57.9 1.0 NA G:HEM201 2.1 60.2 1.0 NB G:HEM201 2.2 58.4 1.0 NE2 G:HIS92 2.4 63.1 1.0 O1 G:OXY202 2.6 60.5 1.0 O2 G:OXY202 2.8 59.9 1.0 C4C G:HEM201 3.0 55.5 1.0 CD2 G:HIS92 3.0 62.7 1.0 C1D G:HEM201 3.1 56.7 1.0 C1C G:HEM201 3.1 55.9 1.0 C4A G:HEM201 3.1 61.4 1.0 C1B G:HEM201 3.1 60.0 1.0 C1A G:HEM201 3.2 61.0 1.0 C4D G:HEM201 3.2 58.9 1.0 C4B G:HEM201 3.2 57.8 1.0 CHD G:HEM201 3.3 55.8 1.0 CHB G:HEM201 3.5 61.3 1.0 CE1 G:HIS92 3.5 63.7 1.0 CHC G:HEM201 3.5 56.6 1.0 CHA G:HEM201 3.6 60.3 1.0 CG G:HIS92 4.2 63.1 1.0 C3C G:HEM201 4.2 54.7 1.0 C2C G:HEM201 4.2 54.9 1.0 C3A G:HEM201 4.3 63.1 1.0 C2D G:HEM201 4.3 56.9 1.0 C2B G:HEM201 4.3 60.3 1.0 C3B G:HEM201 4.4 59.0 1.0 ND1 G:HIS92 4.4 64.0 1.0 C2A G:HEM201 4.4 62.9 1.0 C3D G:HEM201 4.4 58.3 1.0

Iron binding site 5 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ K:Fe201 b:53.0 occ:1.00 FE K:HEM201 0.0 53.0 1.0 NB K:HEM201 2.0 49.0 1.0 NC K:HEM201 2.1 53.8 1.0 NA K:HEM201 2.1 54.5 1.0 ND K:HEM201 2.2 58.2 1.0 O1 K:OXY202 2.3 62.1 1.0 NE2 K:HIS87 2.4 51.3 1.0 O2 K:OXY202 2.8 64.2 1.0 C1B K:HEM201 2.9 49.1 1.0 CD2 K:HIS87 3.0 53.2 1.0 C4A K:HEM201 3.0 53.7 1.0 C4C K:HEM201 3.0 57.2 1.0 C4B K:HEM201 3.0 47.6 1.0 C1C K:HEM201 3.1 51.8 1.0 C1D K:HEM201 3.1 60.9 1.0 C1A K:HEM201 3.2 57.3 1.0 C4D K:HEM201 3.2 59.7 1.0 CHB K:HEM201 3.3 51.1 1.0 CHD K:HEM201 3.4 60.4 1.0 CHC K:HEM201 3.5 48.7 1.0 CE1 K:HIS87 3.6 50.3 1.0 CHA K:HEM201 3.6 59.0 1.0 C2B K:HEM201 4.1 47.1 1.0 C3B K:HEM201 4.2 45.9 1.0 C3A K:HEM201 4.3 56.1 1.0 CG K:HIS87 4.3 53.4 1.0 C3C K:HEM201 4.3 57.4 1.0 C2C K:HEM201 4.3 54.0 1.0 C2A K:HEM201 4.4 58.5 1.0 C2D K:HEM201 4.4 64.4 1.0 C3D K:HEM201 4.4 63.2 1.0 ND1 K:HIS87 4.5 51.5 1.0 NE2 K:HIS58 4.8 58.1 1.0 CE1 K:HIS58 5.0 60.5 1.0

Iron binding site 6 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ L:Fe201 b:49.7 occ:1.00 FE L:HEM201 0.0 49.7 1.0 NC L:HEM201 2.1 47.7 1.0 ND L:HEM201 2.1 50.5 1.0 NA L:HEM201 2.2 51.6 1.0 NB L:HEM201 2.2 49.1 1.0 NE2 L:HIS92 2.5 49.4 1.0 O1 L:OXY202 2.6 47.7 1.0 O2 L:OXY202 2.8 47.4 1.0 C4C L:HEM201 2.9 47.5 1.0 C1D L:HEM201 2.9 49.6 1.0 CD2 L:HIS92 3.0 48.1 1.0 C4A L:HEM201 3.1 52.2 1.0 C1B L:HEM201 3.1 50.4 1.0 CHD L:HEM201 3.2 48.4 1.0 C1C L:HEM201 3.2 46.9 1.0 C4D L:HEM201 3.2 51.9 1.0 C4B L:HEM201 3.3 48.4 1.0 C1A L:HEM201 3.3 52.9 1.0 CHB L:HEM201 3.4 51.6 1.0 CE1 L:HIS92 3.6 51.8 1.0 CHA L:HEM201 3.7 53.1 1.0 CHC L:HEM201 3.7 47.2 1.0 C3C L:HEM201 4.1 46.4 1.0 C2D L:HEM201 4.2 50.5 1.0 CG L:HIS92 4.2 49.8 1.0 C2C L:HEM201 4.3 46.1 1.0 C2B L:HEM201 4.3 50.5 1.0 C3A L:HEM201 4.3 53.8 1.0 C3D L:HEM201 4.4 52.0 1.0 C3B L:HEM201 4.4 49.4 1.0 C2A L:HEM201 4.5 54.2 1.0 ND1 L:HIS92 4.5 52.1 1.0 NE2 L:HIS63 5.0 63.0 1.0

Iron binding site 7 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ P:Fe201 b:69.6 occ:1.00 FE P:HEM201 0.0 69.6 1.0 NC P:HEM201 2.0 70.0 1.0 NB P:HEM201 2.1 67.3 1.0 ND P:HEM201 2.1 72.6 1.0 NA P:HEM201 2.1 70.0 1.0 NE2 P:HIS87 2.4 74.4 1.0 O2 P:OXY202 2.4 72.0 1.0 O1 P:OXY202 2.4 70.4 1.0 CD2 P:HIS87 2.9 73.5 1.0 C4C P:HEM201 2.9 71.7 1.0 C1D P:HEM201 3.0 73.9 1.0 C1B P:HEM201 3.0 66.5 1.0 C4A P:HEM201 3.0 68.7 1.0 C1C P:HEM201 3.1 68.9 1.0 C4B P:HEM201 3.1 66.6 1.0 CHD P:HEM201 3.2 73.4 1.0 C4D P:HEM201 3.2 73.8 1.0 C1A P:HEM201 3.3 71.4 1.0 CHB P:HEM201 3.3 67.2 1.0 CHC P:HEM201 3.6 67.2 1.0 CE1 P:HIS87 3.6 75.5 1.0 CHA P:HEM201 3.7 73.2 1.0 C3C P:HEM201 4.2 71.8 1.0 CG P:HIS87 4.2 74.0 1.0 C2B P:HEM201 4.3 65.2 1.0 C2D P:HEM201 4.3 76.1 1.0 C2C P:HEM201 4.3 70.0 1.0 C3B P:HEM201 4.3 65.2 1.0 C3A P:HEM201 4.3 69.3 1.0 C3D P:HEM201 4.4 75.9 1.0 C2A P:HEM201 4.4 70.9 1.0 ND1 P:HIS87 4.5 75.3 1.0 NE2 P:HIS58 4.9 69.3 1.0

Iron binding site 8 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ Q:Fe201 b:59.9 occ:1.00 FE Q:HEM201 0.0 59.9 1.0 ND Q:HEM201 2.0 59.6 1.0 NC Q:HEM201 2.0 59.0 1.0 NA Q:HEM201 2.2 60.4 1.0 NB Q:HEM201 2.2 60.0 1.0 NE2 Q:HIS92 2.4 64.5 1.0 O2 Q:OXY202 2.7 62.8 1.0 C4C Q:HEM201 2.9 58.8 1.0 C1D Q:HEM201 2.9 59.3 1.0 CD2 Q:HIS92 3.0 64.3 1.0 O1 Q:OXY202 3.0 63.2 1.0 C1B Q:HEM201 3.1 60.8 1.0 C4A Q:HEM201 3.1 61.1 1.0 C4D Q:HEM201 3.1 59.8 1.0 C1C Q:HEM201 3.2 59.0 1.0 C1A Q:HEM201 3.2 60.6 1.0 C4B Q:HEM201 3.2 60.0 1.0 CHD Q:HEM201 3.2 59.0 1.0 CHB Q:HEM201 3.4 61.3 1.0 CE1 Q:HIS92 3.5 64.9 1.0 CHA Q:HEM201 3.6 60.3 1.0 CHC Q:HEM201 3.6 59.4 1.0 CG Q:HIS92 4.1 64.7 1.0 C3C Q:HEM201 4.2 58.6 1.0 C2D Q:HEM201 4.2 59.5 1.0 C2C Q:HEM201 4.3 58.7 1.0 C2B Q:HEM201 4.3 61.5 1.0 C3D Q:HEM201 4.3 59.8 1.0 ND1 Q:HIS92 4.3 65.1 1.0 C3A Q:HEM201 4.3 61.7 1.0 C3B Q:HEM201 4.4 61.0 1.0 C2A Q:HEM201 4.4 61.4 1.0

Iron binding site 9 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ U:Fe201 b:76.6 occ:1.00 FE U:HEM201 0.0 76.6 1.0 NC U:HEM201 1.9 77.0 1.0 ND U:HEM201 2.1 80.1 1.0 NB U:HEM201 2.1 73.8 1.0 NA U:HEM201 2.1 76.7 1.0 NE2 U:HIS87 2.5 77.0 1.0 O2 U:OXY202 2.6 81.2 1.0 O1 U:OXY202 2.8 80.3 1.0 C4C U:HEM201 2.9 78.9 1.0 CD2 U:HIS87 2.9 77.0 1.0 C1C U:HEM201 3.0 75.4 1.0 C1D U:HEM201 3.0 81.6 1.0 C4B U:HEM201 3.1 72.7 1.0 C1B U:HEM201 3.1 72.7 1.0 C4A U:HEM201 3.1 75.0 1.0 C4D U:HEM201 3.2 81.3 1.0 C1A U:HEM201 3.2 78.3 1.0 CHD U:HEM201 3.3 81.1 1.0 CHC U:HEM201 3.4 73.5 1.0 CHB U:HEM201 3.5 73.3 1.0 CHA U:HEM201 3.5 80.4 1.0 CE1 U:HIS87 3.7 78.0 1.0 C3C U:HEM201 4.2 78.6 1.0 C2C U:HEM201 4.2 76.4 1.0 CG U:HIS87 4.2 77.9 1.0 C2D U:HEM201 4.3 84.1 1.0 C3B U:HEM201 4.3 71.0 1.0 C2B U:HEM201 4.3 71.0 1.0 C3A U:HEM201 4.4 75.6 1.0 C3D U:HEM201 4.4 83.9 1.0 C2A U:HEM201 4.4 77.5 1.0 ND1 U:HIS87 4.6 78.6 1.0 NE2 U:HIS58 4.9 79.2 1.0

Iron binding site 10 out of 12 in the Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of T. Brucei Haptoglobin-Hemoglobin Receptor Binding to Human Haptoglobin-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ V:Fe201 b:67.9 occ:1.00 FE V:HEM201 0.0 67.9 1.0 ND V:HEM201 1.9 67.6 1.0 NC V:HEM201 2.1 66.7 1.0 NA V:HEM201 2.1 69.7 1.0 NB V:HEM201 2.2 68.5 1.0 NE2 V:HIS92 2.6 75.0 1.0 O2 V:OXY202 2.7 69.3 1.0 C1D V:HEM201 2.9 66.7 1.0 C4D V:HEM201 3.0 68.3 1.0 C4C V:HEM201 3.0 66.2 1.0 C1A V:HEM201 3.1 70.3 1.0 C4A V:HEM201 3.1 71.0 1.0 CD2 V:HIS92 3.1 74.5 1.0 C1C V:HEM201 3.2 66.6 1.0 C1B V:HEM201 3.2 70.1 1.0 O1 V:OXY202 3.2 69.9 1.0 C4B V:HEM201 3.2 68.3 1.0 CHD V:HEM201 3.3 66.3 1.0 CHA V:HEM201 3.4 69.6 1.0 CHB V:HEM201 3.5 71.2 1.0 CHC V:HEM201 3.6 67.3 1.0 CE1 V:HIS92 3.7 75.5 1.0 C2D V:HEM201 4.2 66.8 1.0 C3D V:HEM201 4.2 67.8 1.0 C3C V:HEM201 4.3 65.9 1.0 C2A V:HEM201 4.3 72.2 1.0 C3A V:HEM201 4.3 72.6 1.0 C2C V:HEM201 4.3 66.1 1.0 CG V:HIS92 4.3 74.6 1.0 C2B V:HEM201 4.4 71.0 1.0 C3B V:HEM201 4.4 69.8 1.0 ND1 V:HIS92 4.6 75.1 1.0 NE2 V:HIS63 4.9 73.1 1.0

K.Stoedkilde, M.Torvund-Jensen, S.K.Moestrup, C.B.F.Andersen. Structural Basis For Trypanosomal Heme Acquisition and Susceptibility to the Host Innate Immune System Nat Commun 2014.
ISSN: ESSN 2041-1723
DOI: 10.1038/NCOMMS6487