Iron in PDB 8qt9: Cryo-Em Structure of Stably Reduced Streptococcus Pneumoniae Nadph Oxidase in Complex with Nadh

The binding sites of Iron atom in the Cryo-Em Structure of Stably Reduced Streptococcus Pneumoniae Nadph Oxidase in Complex with Nadh (pdb code 8qt9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cryo-Em Structure of Stably Reduced Streptococcus Pneumoniae Nadph Oxidase in Complex with Nadh, PDB code: 8qt9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cryo-Em Structure of Stably Reduced Streptococcus Pneumoniae Nadph Oxidase in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryo-Em Structure of Stably Reduced Streptococcus Pneumoniae Nadph Oxidase in Complex with Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:41.1 occ:1.00 FE A:HEM502 0.0 41.1 1.0 NC A:HEM502 2.0 34.1 1.0 NA A:HEM502 2.1 30.2 1.0 ND A:HEM502 2.1 26.0 1.0 NB A:HEM502 2.1 31.4 1.0 NE2 A:HIS129 2.2 11.6 1.0 NE2 A:HIS69 2.2 24.5 1.0 CD2 A:HIS129 3.0 19.2 1.0 C4A A:HEM502 3.0 29.2 1.0 C4C A:HEM502 3.0 27.2 1.0 CE1 A:HIS69 3.0 25.6 1.0 C1B A:HEM502 3.1 26.4 1.0 C1A A:HEM502 3.1 31.5 1.0 C1D A:HEM502 3.1 22.7 1.0 C1C A:HEM502 3.1 30.2 1.0 C4D A:HEM502 3.1 19.9 1.0 C4B A:HEM502 3.1 23.6 1.0 CD2 A:HIS69 3.2 27.3 1.0 CE1 A:HIS129 3.2 22.7 1.0 CHD A:HEM502 3.4 29.3 1.0 CHB A:HEM502 3.4 26.4 1.0 CHA A:HEM502 3.4 23.3 1.0 CHC A:HEM502 3.5 28.9 1.0 ND1 A:HIS69 4.2 28.1 1.0 CG A:HIS129 4.2 30.7 1.0 C3A A:HEM502 4.2 30.6 1.0 C2A A:HEM502 4.2 31.6 1.0 C3C A:HEM502 4.3 29.9 1.0 C2C A:HEM502 4.3 29.6 1.0 C2B A:HEM502 4.3 27.7 1.0 CG A:HIS69 4.3 34.4 1.0 ND1 A:HIS129 4.3 32.4 1.0 C2D A:HEM502 4.3 29.9 1.0 C3D A:HEM502 4.3 32.2 1.0 C3B A:HEM502 4.3 29.6 1.0 CH2 A:TRP125 4.8 25.4 1.0

Iron binding site 2 out of 2 in the Cryo-Em Structure of Stably Reduced Streptococcus Pneumoniae Nadph Oxidase in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryo-Em Structure of Stably Reduced Streptococcus Pneumoniae Nadph Oxidase in Complex with Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:39.4 occ:1.00 FE A:HEM503 0.0 39.4 1.0 NA A:HEM503 2.0 18.3 1.0 NC A:HEM503 2.0 18.7 1.0 ND A:HEM503 2.1 26.4 1.0 NB A:HEM503 2.1 19.4 1.0 NE2 A:HIS83 2.2 14.6 1.0 NE2 A:HIS142 2.3 25.2 1.0 C1C A:HEM503 3.0 16.4 1.0 C1A A:HEM503 3.0 17.5 1.0 C4C A:HEM503 3.0 11.1 1.0 C4D A:HEM503 3.1 17.9 1.0 C4A A:HEM503 3.1 16.7 1.0 C4B A:HEM503 3.1 11.6 1.0 C1D A:HEM503 3.1 23.0 1.0 C1B A:HEM503 3.1 20.6 1.0 CE1 A:HIS142 3.2 17.8 1.0 CD2 A:HIS83 3.2 10.3 1.0 CE1 A:HIS83 3.2 10.1 1.0 CD2 A:HIS142 3.3 14.1 1.0 CHC A:HEM503 3.4 6.7 1.0 CHA A:HEM503 3.4 21.6 1.0 CHD A:HEM503 3.4 19.0 1.0 CHB A:HEM503 3.4 21.3 1.0 C2C A:HEM503 4.2 26.4 1.0 C3C A:HEM503 4.2 23.7 1.0 C2A A:HEM503 4.3 21.0 1.0 C3A A:HEM503 4.3 19.5 1.0 C3D A:HEM503 4.3 27.3 1.0 C2D A:HEM503 4.3 17.5 1.0 C2B A:HEM503 4.3 25.4 1.0 ND1 A:HIS142 4.3 20.5 1.0 C3B A:HEM503 4.3 19.1 1.0 ND1 A:HIS83 4.3 24.6 1.0 CG A:HIS83 4.3 22.1 1.0 CG A:HIS142 4.4 25.2 1.0

V.R.A.Dubach, P.San Segundo-Acosta, B.J.Murphy. Structural and Mechanistic Insight Into Streptococcus Pneumoniae Nadph Oxidase To Be Published 2024.
DOI: 10.1038/S41594-024-01348-W