Iron in PDB 6i2z: Isolated Globin Domain of the Bordetella Pertussis Globin-Coupled Sensor

The structure of Isolated Globin Domain of the Bordetella Pertussis Globin-Coupled Sensor, PDB code: 6i2z was solved by F.Germani, A.De Schutter, B.Cuypers, H.Berghmans, M.-L.Van Hauwaert, S.Bruno, A.Mozzarelli, L.Moens, S.Van Doorslaer, M.Bolognesi, A.Pesce, S.Dewilde, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.81 / 3.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.960, 86.720, 41.820, 90.00, 93.34, 90.00
R / Rfree (%)	20.9 / 24

The binding sites of Iron atom in the Isolated Globin Domain of the Bordetella Pertussis Globin-Coupled Sensor (pdb code 6i2z). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Isolated Globin Domain of the Bordetella Pertussis Globin-Coupled Sensor, PDB code: 6i2z:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Isolated Globin Domain of the Bordetella Pertussis Globin-Coupled Sensor


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:39.0 occ:1.00 FE A:HEM200 0.0 39.0 1.0 ND A:HEM200 1.9 42.1 1.0 NA A:HEM200 2.0 41.8 1.0 NE2 A:HIS99 2.1 26.4 1.0 NB A:HEM200 2.1 40.5 1.0 NC A:HEM200 2.1 41.4 1.0 CE1 A:HIS99 2.8 27.9 1.0 C1D A:HEM200 2.9 42.2 1.0 C4D A:HEM200 2.9 44.0 1.0 C1A A:HEM200 3.0 43.1 1.0 C4A A:HEM200 3.0 41.7 1.0 O A:HOH308 3.1 10.5 1.0 C1B A:HEM200 3.1 40.8 1.0 C4B A:HEM200 3.1 39.2 1.0 C4C A:HEM200 3.1 40.0 1.0 C1C A:HEM200 3.1 38.9 1.0 CD2 A:HIS99 3.3 28.4 1.0 CHA A:HEM200 3.3 43.8 1.0 CHD A:HEM200 3.4 41.1 1.0 CHB A:HEM200 3.4 41.6 1.0 CHC A:HEM200 3.5 39.3 1.0 ND1 A:HIS99 4.0 28.9 1.0 C2D A:HEM200 4.2 42.7 1.0 C3D A:HEM200 4.2 44.8 1.0 CD1 A:LEU65 4.2 62.0 1.0 C2A A:HEM200 4.2 42.7 1.0 C3A A:HEM200 4.2 41.7 1.0 CG A:HIS99 4.3 28.9 1.0 C2B A:HEM200 4.3 39.0 1.0 C2C A:HEM200 4.3 37.4 1.0 C3C A:HEM200 4.3 37.9 1.0 C3B A:HEM200 4.4 37.9 1.0

Iron binding site 2 out of 2 in the Isolated Globin Domain of the Bordetella Pertussis Globin-Coupled Sensor


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:63.6 occ:1.00 FE B:HEM200 0.0 63.6 1.0 ND B:HEM200 1.9 70.4 1.0 NA B:HEM200 2.0 64.5 1.0 NC B:HEM200 2.1 66.3 1.0 NB B:HEM200 2.1 62.4 1.0 NE2 B:HIS99 2.3 46.3 1.0 O B:HOH302 2.9 1.0 1.0 C1D B:HEM200 2.9 73.5 1.0 C4D B:HEM200 2.9 71.8 1.0 C1A B:HEM200 3.0 65.9 1.0 C4A B:HEM200 3.0 65.9 1.0 CE1 B:HIS99 3.0 49.2 1.0 C1B B:HEM200 3.1 62.3 1.0 C4B B:HEM200 3.1 60.9 1.0 C4C B:HEM200 3.1 69.2 1.0 C1C B:HEM200 3.1 64.9 1.0 CD2 B:HIS99 3.3 48.2 1.0 CHA B:HEM200 3.4 69.9 1.0 CHD B:HEM200 3.4 72.9 1.0 CHB B:HEM200 3.4 65.3 1.0 CHC B:HEM200 3.5 64.2 1.0 ND1 B:HIS99 4.1 49.2 1.0 C2D B:HEM200 4.2 74.4 1.0 C2A B:HEM200 4.2 66.5 1.0 C3D B:HEM200 4.2 73.8 1.0 C3A B:HEM200 4.2 67.0 1.0 CG B:HIS99 4.3 48.2 1.0 C3C B:HEM200 4.3 66.7 1.0 C2C B:HEM200 4.3 64.4 1.0 C2B B:HEM200 4.3 58.2 1.0 C3B B:HEM200 4.4 56.8 1.0

F.Germani, M.Nardini, A.De Schutter, B.Cuypers, H.Berghmans, M.L.Van Hauwaert, B.Stefano, A.Mozzarelli, L.Moens, S.Van Doorslaer, M.Bolognesi, A.Pesce, S.Dewilde. Structural and Functional Characterization of the Globin-Coupled Sensors of Azotobacter Vinelandii and Bordetella Pertussis. Antioxid.Redox Signal. 2019.
ISSN: ESSN 1557-7716
PubMed: 31559835
DOI: 10.1089/ARS.2018.7690