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Iron in PDB 4uiq: Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface

Enzymatic activity of Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface

All present enzymatic activity of Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface:
2.7.7.65;

Protein crystallography data

The structure of Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface, PDB code: 4uiq was solved by F.Germani, J.Donne, A.De Schutter, A.Pesce, H.Berghmans, M.-L.Van Hauwaert, L.Moens, S.Van Doorslaer, M.Bolognesi, M.Nardini, S.Dewilde, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.521 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 69.960, 53.110, 81.170, 90.00, 93.23, 90.00
R / Rfree (%) 15.56 / 20.43

Iron Binding Sites:

The binding sites of Iron atom in the Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface (pdb code 4uiq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface, PDB code: 4uiq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4uiq

Go back to Iron Binding Sites List in 4uiq
Iron binding site 1 out of 4 in the Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe200

b:19.2
occ:1.00
 FE A:HEM200 0.0 19.2 1.0
NC A:HEM200 2.0 17.7 1.0
NA A:HEM200 2.0 19.7 1.0
ND A:HEM200 2.0 20.1 1.0
NB A:HEM200 2.0 17.4 1.0
NE2 A:HIS99 2.2 18.1 1.0
C4D A:HEM200 3.0 22.0 1.0
C1A A:HEM200 3.0 20.4 1.0
C1C A:HEM200 3.0 17.2 1.0
C4B A:HEM200 3.0 17.1 1.0
C1D A:HEM200 3.1 20.4 1.0
C4C A:HEM200 3.1 18.7 1.0
C4A A:HEM200 3.1 18.7 1.0
OH A:TYR43 3.1 30.3 1.0
CE1 A:HIS99 3.1 18.3 1.0
C1B A:HEM200 3.1 17.4 1.0
CD2 A:HIS99 3.2 17.9 1.0
CHA A:HEM200 3.4 20.8 1.0
CHC A:HEM200 3.4 17.2 1.0
CHB A:HEM200 3.5 18.1 1.0
CHD A:HEM200 3.5 19.6 1.0
C3C A:HEM200 4.2 20.2 1.0
C2C A:HEM200 4.2 18.9 1.0
C2A A:HEM200 4.3 20.3 1.0
ND1 A:HIS99 4.3 18.5 1.0
C3D A:HEM200 4.3 24.0 1.0
C2D A:HEM200 4.3 22.2 1.0
C3A A:HEM200 4.3 18.9 1.0
C3B A:HEM200 4.3 17.4 1.0
C2B A:HEM200 4.3 16.6 1.0
CG A:HIS99 4.3 19.1 1.0
CZ A:TYR43 4.4 30.2 1.0
O A:HOH2037 4.5 33.4 1.0
CG1 A:VAL95 4.7 19.3 1.0
CE1 A:TYR43 4.8 30.2 1.0

Iron binding site 2 out of 4 in 4uiq

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Iron binding site 2 out of 4 in the Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:26.2
occ:0.50
 FE A:HEM201 0.0 26.2 0.5
ND A:HEM201 1.9 27.5 0.5
NC A:HEM201 2.0 26.4 0.5
NA A:HEM201 2.1 27.7 0.5
NB A:HEM201 2.1 26.8 0.5
NE2 A:HIS155 2.3 25.6 1.0
C4C A:HEM201 2.9 26.5 0.5
C1D A:HEM201 2.9 27.8 0.5
C4D A:HEM201 2.9 29.2 0.5
CD2 A:HIS155 3.1 25.3 1.0
C1C A:HEM201 3.1 26.2 0.5
C1A A:HEM201 3.1 28.9 0.5
C4A A:HEM201 3.1 28.2 0.5
C4B A:HEM201 3.1 26.9 0.5
C1B A:HEM201 3.2 27.8 0.5
CHD A:HEM201 3.3 26.9 0.5
CE1 A:HIS155 3.3 25.2 1.0
CHA A:HEM201 3.4 29.2 0.5
CHC A:HEM201 3.5 26.3 0.5
CHB A:HEM201 3.5 28.1 0.5
C2D A:HEM201 4.1 29.2 0.5
C3D A:HEM201 4.2 30.4 0.5
C3C A:HEM201 4.2 26.8 0.5
C2C A:HEM201 4.2 26.5 0.5
CG A:HIS155 4.3 25.0 1.0
C3A A:HEM201 4.3 28.9 0.5
C2A A:HEM201 4.3 29.6 0.5
C3B A:HEM201 4.4 27.7 0.5
ND1 A:HIS155 4.4 24.9 1.0
C2B A:HEM201 4.4 27.8 0.5

Iron binding site 3 out of 4 in 4uiq

Go back to Iron Binding Sites List in 4uiq
Iron binding site 3 out of 4 in the Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe200

b:16.9
occ:1.00
 FE B:HEM200 0.0 16.9 1.0
ND B:HEM200 2.0 18.1 1.0
NC B:HEM200 2.0 15.7 1.0
NA B:HEM200 2.0 16.8 1.0
NB B:HEM200 2.0 15.4 1.0
N3 B:IMD1156 2.1 19.0 1.0
NE2 B:HIS99 2.1 18.1 1.0
C1D B:HEM200 3.0 18.5 1.0
CE1 B:HIS99 3.0 19.3 1.0
C1B B:HEM200 3.0 16.3 1.0
C4A B:HEM200 3.0 16.9 1.0
C1C B:HEM200 3.0 15.2 1.0
C4C B:HEM200 3.0 17.2 1.0
C1A B:HEM200 3.1 18.0 1.0
C4B B:HEM200 3.1 15.7 1.0
C4D B:HEM200 3.1 19.8 1.0
C4 B:IMD1156 3.1 19.8 1.0
C2 B:IMD1156 3.1 19.4 1.0
CD2 B:HIS99 3.2 19.4 1.0
CHB B:HEM200 3.4 17.1 1.0
CHD B:HEM200 3.4 17.5 1.0
CHC B:HEM200 3.4 16.3 1.0
CHA B:HEM200 3.5 19.0 1.0
ND1 B:HIS99 4.2 19.6 1.0
C2D B:HEM200 4.2 18.9 1.0
N1 B:IMD1156 4.2 19.6 1.0
C3A B:HEM200 4.2 17.5 1.0
C2B B:HEM200 4.2 16.4 1.0
C3B B:HEM200 4.2 15.2 1.0
C3D B:HEM200 4.2 21.2 1.0
C2C B:HEM200 4.2 16.7 1.0
C3C B:HEM200 4.3 17.7 1.0
C2A B:HEM200 4.3 18.3 1.0
C5 B:IMD1156 4.3 19.7 1.0
CG B:HIS99 4.3 18.8 1.0
CD2 B:LEU65 5.0 18.8 1.0

Iron binding site 4 out of 4 in 4uiq

Go back to Iron Binding Sites List in 4uiq
Iron binding site 4 out of 4 in the Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Isolated Globin Domain of the Bordetella Pertussis Globin- Coupled Sensor with A Heme at the Dimer Interface within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:41.2
occ:0.50
 FE B:HEM201 0.0 41.2 0.5
ND B:HEM201 1.9 41.6 0.5
NA B:HEM201 2.0 40.7 0.5
NC B:HEM201 2.1 41.7 0.5
NB B:HEM201 2.1 41.3 0.5
NE2 B:HIS155 2.4 43.9 1.0
C1D B:HEM201 2.9 41.9 0.5
C4D B:HEM201 3.0 41.5 0.5
C4C B:HEM201 3.0 42.0 0.5
C4A B:HEM201 3.0 40.6 0.5
C1A B:HEM201 3.0 40.5 0.5
C1B B:HEM201 3.1 41.1 0.5
C4B B:HEM201 3.2 41.5 0.5
C1C B:HEM201 3.2 41.8 0.5
CD2 B:HIS155 3.3 43.9 1.0
CHD B:HEM201 3.3 42.0 0.5
CHA B:HEM201 3.4 40.8 0.5
CHB B:HEM201 3.4 40.9 0.5
CE1 B:HIS155 3.5 43.9 1.0
CHC B:HEM201 3.6 41.6 0.5
C2D B:HEM201 4.1 42.0 0.5
C3D B:HEM201 4.2 42.2 0.5
C3A B:HEM201 4.3 40.1 0.5
C2A B:HEM201 4.3 39.9 0.5
C3C B:HEM201 4.3 42.0 0.5
C2B B:HEM201 4.3 41.1 0.5
C2C B:HEM201 4.4 42.0 0.5
C3B B:HEM201 4.4 41.4 0.5
CG B:HIS155 4.5 43.3 1.0
ND1 B:HIS155 4.6 43.8 1.0

Reference:

F.Germani, J.Donne, A.De Schutter, A.Pesce, H.Berghmans, M.-L.Van Hauwaert, L.Moens, S.Van Doorslaer, M.Bolognesi, M.Nardini, S.Dewilde. Identification of A Putative Allosteric Site in the Sensor Domain of Bordetella Pertussis Globin- Coupled Sensor For the Control of Biofilm Formation To Be Published.
Page generated: Tue Aug 5 16:01:51 2025

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