Iron in PDB 6tb2: Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh

The structure of Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh, PDB code: 6tb2 was solved by J.H.Mikkelsen, C.B.F.Andersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.46 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.100, 86.770, 217.950, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 27

The binding sites of Iron atom in the Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh (pdb code 6tb2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh, PDB code: 6tb2:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:99.5 occ:1.00 FE A:HEM201 0.0 99.5 1.0 NB A:HEM201 2.0 99.4 1.0 NC A:HEM201 2.0 98.0 1.0 NE2 A:HIS87 2.1 84.1 1.0 NA A:HEM201 2.1 0.1 1.0 ND A:HEM201 2.1 99.7 1.0 CE1 A:HIS87 2.8 89.8 1.0 C4B A:HEM201 3.0 98.8 1.0 C1C A:HEM201 3.0 97.2 1.0 C1B A:HEM201 3.0 0.0 1.0 C4C A:HEM201 3.0 97.8 1.0 C4A A:HEM201 3.1 0.4 1.0 C1D A:HEM201 3.1 99.3 1.0 C1A A:HEM201 3.2 0.7 1.0 C4D A:HEM201 3.2 100.0 1.0 CD2 A:HIS87 3.3 87.0 1.0 CHC A:HEM201 3.3 97.8 1.0 CHB A:HEM201 3.4 0.3 1.0 CHD A:HEM201 3.4 98.2 1.0 CHA A:HEM201 3.6 0.6 1.0 ND1 A:HIS87 4.0 97.1 1.0 CE1 A:HIS58 4.1 0.2 1.0 C3B A:HEM201 4.2 99.3 1.0 C2C A:HEM201 4.2 97.0 1.0 C2B A:HEM201 4.2 99.5 1.0 C3C A:HEM201 4.2 96.8 1.0 CG A:HIS87 4.3 95.6 1.0 C3A A:HEM201 4.3 0.7 1.0 C2D A:HEM201 4.3 99.5 1.0 C2A A:HEM201 4.4 0.3 1.0 C3D A:HEM201 4.4 0.4 1.0 NE2 A:HIS58 4.4 0.3 1.0 CG2 A:VAL62 4.7 0.5 1.0

Iron binding site 2 out of 3 in the Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:0.7 occ:0.39 FE B:HEM201 0.0 0.7 0.4 CMC B:HEM201 2.0 0.7 0.6 NC B:HEM201 2.0 0.7 0.4 NA B:HEM201 2.1 0.1 0.4 NE2 B:HIS92 2.1 0.5 1.0 NB B:HEM201 2.1 0.6 0.4 ND B:HEM201 2.1 0.3 0.4 CD2 B:HIS92 2.8 0.8 1.0 C1C B:HEM201 3.0 0.1 0.4 C4C B:HEM201 3.0 0.7 0.4 C1A B:HEM201 3.0 0.9 0.4 C4B B:HEM201 3.1 0.5 0.4 C1B B:HEM201 3.1 0.1 0.4 C4A B:HEM201 3.1 0.6 0.4 C4D B:HEM201 3.1 0.4 0.4 C1D B:HEM201 3.1 0.9 0.4 CE1 B:HIS92 3.2 0.4 1.0 C2C B:HEM201 3.4 0.3 0.6 CHC B:HEM201 3.4 0.7 0.4 CHA B:HEM201 3.4 0.8 0.4 CHD B:HEM201 3.4 0.5 0.4 CHB B:HEM201 3.5 0.9 0.4 CHC B:HEM201 3.8 0.7 0.6 CBB B:HEM201 3.8 0.7 0.6 C1C B:HEM201 4.0 0.1 0.6 CG B:HIS92 4.0 0.3 1.0 CG2 B:VAL67 4.1 0.0 1.0 C2C B:HEM201 4.1 0.3 0.4 C3C B:HEM201 4.2 0.6 0.4 ND1 B:HIS92 4.2 0.6 1.0 C2A B:HEM201 4.3 0.0 0.4 C2B B:HEM201 4.3 0.5 0.4 C3B B:HEM201 4.3 0.6 0.4 C3A B:HEM201 4.3 0.1 0.4 C3D B:HEM201 4.3 0.8 0.4 C2D B:HEM201 4.3 0.8 0.4 C3C B:HEM201 4.5 0.6 0.6 C4B B:HEM201 4.8 0.5 0.6 CBC B:HEM201 4.9 0.3 0.6 CAB B:HEM201 4.9 0.1 0.6

Iron binding site 3 out of 3 in the Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Human Haptoglobin-Hemoglobin Bound to S. Aureus Isdh within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:0.7 occ:0.61 FE B:HEM201 0.0 0.7 0.6 O2D B:HEM201 1.9 0.1 0.4 NB B:HEM201 2.0 0.6 0.6 NA B:HEM201 2.1 0.1 0.6 NC B:HEM201 2.1 0.7 0.6 ND B:HEM201 2.1 0.3 0.6 NE2 B:HIS63 2.1 0.8 1.0 CAD B:HEM201 2.2 0.2 0.4 CGD B:HEM201 2.6 0.9 0.4 CBD B:HEM201 2.6 0.0 0.4 CE1 B:HIS63 2.8 0.1 1.0 C1C B:HEM201 3.0 0.1 0.6 C4C B:HEM201 3.0 0.7 0.6 C4B B:HEM201 3.0 0.5 0.6 C1B B:HEM201 3.1 0.1 0.6 C4A B:HEM201 3.1 0.6 0.6 C1D B:HEM201 3.1 0.9 0.6 C1A B:HEM201 3.1 0.9 0.6 C4D B:HEM201 3.1 0.4 0.6 CD2 B:HIS63 3.3 0.3 1.0 C3D B:HEM201 3.4 0.8 0.4 CHC B:HEM201 3.4 0.7 0.6 CHB B:HEM201 3.4 0.9 0.6 CHD B:HEM201 3.4 0.5 0.6 CHA B:HEM201 3.4 0.8 0.6 CHA B:HEM201 3.7 0.8 0.4 O1D B:HEM201 3.8 0.8 0.4 C4D B:HEM201 3.9 0.4 0.4 ND1 B:HIS63 4.0 0.5 1.0 C2C B:HEM201 4.2 0.3 0.6 C3C B:HEM201 4.2 0.6 0.6 C2B B:HEM201 4.3 0.5 0.6 C3B B:HEM201 4.3 0.6 0.6 CG B:HIS63 4.3 0.4 1.0 O2A B:HEM201 4.3 0.0 0.4 C3D B:HEM201 4.3 0.8 0.6 C2D B:HEM201 4.3 0.8 0.6 C2A B:HEM201 4.3 0.0 0.6 C3A B:HEM201 4.3 0.1 0.6 CAA B:HEM201 4.4 1.0 0.4 C2D B:HEM201 4.5 0.8 0.4 C1A B:HEM201 4.8 0.9 0.4 CGA B:HEM201 4.9 0.1 0.4

J.H.Mikkelsen, K.S.Runager, C.B.F.Andersen. Haptoglobin Is An Inhibitor of Staphylococcus Aureus Isdh-Mediated Heme-Sequestering To Be Published.