Iron in PDB 8qq7: Structure of Spnox: A Bacterial Nadph Oxidase

The structure of Structure of Spnox: A Bacterial Nadph Oxidase, PDB code: 8qq7 was solved by M.Thepaut, I.Petit-Hartlein, A.Vermot, V.Chaptal, A.S.Humm, F.Dupeux, J.A.Marquez, S.Smith, F.Fieschi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 3.62
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	145.967, 145.967, 153.619, 90, 90, 120
R / Rfree (%)	26.2 / 32

The binding sites of Iron atom in the Structure of Spnox: A Bacterial Nadph Oxidase (pdb code 8qq7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Spnox: A Bacterial Nadph Oxidase, PDB code: 8qq7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Spnox: A Bacterial Nadph Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Spnox: A Bacterial Nadph Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:23.5 occ:1.00 FE A:HEM1001 0.0 23.5 1.0 ND A:HEM1001 1.9 24.8 1.0 NA A:HEM1001 2.0 24.7 1.0 NC A:HEM1001 2.1 24.8 1.0 NB A:HEM1001 2.1 24.0 1.0 NE2 A:HIS142 2.1 148.3 1.0 NE2 A:HIS83 2.2 177.4 1.0 CD2 A:HIS83 2.7 170.8 1.0 CE1 A:HIS142 3.0 174.1 1.0 C1D A:HEM1001 3.0 24.9 1.0 C4D A:HEM1001 3.0 24.2 1.0 C1A A:HEM1001 3.0 25.0 1.0 C4B A:HEM1001 3.0 25.2 1.0 C4C A:HEM1001 3.1 24.3 1.0 C4A A:HEM1001 3.1 26.6 1.0 C1B A:HEM1001 3.1 25.4 1.0 C1C A:HEM1001 3.1 24.8 1.0 CD2 A:HIS142 3.3 170.7 1.0 CHA A:HEM1001 3.4 23.5 1.0 CE1 A:HIS83 3.4 166.0 1.0 CHD A:HEM1001 3.4 22.3 1.0 CHC A:HEM1001 3.4 22.8 1.0 CHB A:HEM1001 3.5 25.0 1.0 CG A:HIS83 4.0 171.3 1.0 ND1 A:HIS142 4.1 201.0 1.0 C2A A:HEM1001 4.2 26.6 1.0 C2D A:HEM1001 4.2 24.6 1.0 C3D A:HEM1001 4.3 27.4 1.0 C3A A:HEM1001 4.3 26.1 1.0 C3C A:HEM1001 4.3 25.3 1.0 C2C A:HEM1001 4.3 24.3 1.0 ND1 A:HIS83 4.3 162.8 1.0 C2B A:HEM1001 4.3 25.4 1.0 CG A:HIS142 4.3 199.7 1.0 C3B A:HEM1001 4.3 25.5 1.0

Iron binding site 2 out of 2 in the Structure of Spnox: A Bacterial Nadph Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Spnox: A Bacterial Nadph Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:23.5 occ:1.00 FE A:HEM1002 0.0 23.5 1.0 ND A:HEM1002 1.9 24.8 1.0 NA A:HEM1002 2.0 24.7 1.0 NC A:HEM1002 2.1 24.8 1.0 NE2 A:HIS69 2.1 136.7 1.0 NE2 A:HIS129 2.1 148.7 1.0 NB A:HEM1002 2.1 24.0 1.0 CE1 A:HIS129 2.9 163.2 1.0 C1D A:HEM1002 3.0 24.9 1.0 C4D A:HEM1002 3.0 24.2 1.0 C1A A:HEM1002 3.0 25.0 1.0 CE1 A:HIS69 3.0 143.5 1.0 C4B A:HEM1002 3.0 25.2 1.0 C4C A:HEM1002 3.1 24.3 1.0 C4A A:HEM1002 3.1 26.6 1.0 C1B A:HEM1002 3.1 25.4 1.0 C1C A:HEM1002 3.1 24.8 1.0 CD2 A:HIS69 3.1 147.8 1.0 CD2 A:HIS129 3.2 160.6 1.0 CHA A:HEM1002 3.4 23.5 1.0 CHD A:HEM1002 3.4 22.3 1.0 CHC A:HEM1002 3.4 22.8 1.0 CHB A:HEM1002 3.5 25.0 1.0 ND1 A:HIS129 4.1 182.8 1.0 ND1 A:HIS69 4.1 154.0 1.0 C2A A:HEM1002 4.2 26.6 1.0 CG A:HIS69 4.2 149.6 1.0 C2D A:HEM1002 4.2 24.6 1.0 C3D A:HEM1002 4.3 27.4 1.0 C3A A:HEM1002 4.3 26.1 1.0 C3C A:HEM1002 4.3 25.3 1.0 C2C A:HEM1002 4.3 24.3 1.0 CG A:HIS129 4.3 167.4 1.0 C2B A:HEM1002 4.3 25.4 1.0 C3B A:HEM1002 4.3 25.5 1.0 CZ2 A:TRP125 4.8 248.7 1.0

I.Petit-Hartlein, A.Vermot, M.Thepaut, A.S.Humm, F.Dupeux, J.Dupuy, V.Chaptal, J.A.Marquez, S.M.E.Smith, F.Fieschi. X-Ray Structure and Enzymatic Study of A Bacterial Nadph Oxidase Highlight the Activation Mechanism of Eukaryotic Nox. Elife V. 13 2024.
ISSN: ESSN 2050-084X
PubMed: 38640072
DOI: 10.7554/ELIFE.93759