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

Protein crystallography data

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

Iron Binding Sites:

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 6tb2

Go back to Iron Binding Sites List in 6tb2
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 6tb2

Go back to Iron Binding Sites List in 6tb2
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 6tb2

Go back to Iron Binding Sites List in 6tb2
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

Reference:

J.H.Mikkelsen, K.S.Runager, C.B.F.Andersen. Haptoglobin Is An Inhibitor of Staphylococcus Aureus Isdh-Mediated Heme-Sequestering To Be Published.
Page generated: Sun Dec 13 17:08:53 2020

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