Iron in PDB 9g8a: Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to P- Hydroxybenzaldehyde

The structure of Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to P- Hydroxybenzaldehyde, PDB code: 9g8a was solved by J.Plewka, L.Schorber, K.Magiera-Mularz, F.Rudroff, M.Winkler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.55 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.836, 83.808, 98.117, 90, 104.5, 90
R / Rfree (%)	18 / 21.8

The binding sites of Iron atom in the Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to P- Hydroxybenzaldehyde (pdb code 9g8a). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to P- Hydroxybenzaldehyde, PDB code: 9g8a:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to P- Hydroxybenzaldehyde


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to P- Hydroxybenzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:28.7 occ:1.00 O A:HOH733 1.8 31.3 1.0 NE2 A:HIS316 2.1 16.8 1.0 NE2 A:HIS510 2.2 15.7 1.0 NE2 A:HIS251 2.2 15.8 1.0 NE2 A:HIS200 2.2 18.5 1.0 CE1 A:HIS251 3.0 14.9 1.0 CD2 A:HIS510 3.1 15.2 1.0 CD2 A:HIS316 3.1 16.4 1.0 CE1 A:HIS316 3.1 16.4 1.0 CE1 A:HIS200 3.1 16.6 1.0 CE1 A:HIS510 3.2 16.0 1.0 CD2 A:HIS200 3.3 16.9 1.0 CD2 A:HIS251 3.3 16.1 1.0 O1' A:HBA601 3.7 22.8 1.0 C1' A:HBA601 4.2 22.1 1.0 ND1 A:HIS316 4.2 17.1 1.0 CG A:HIS316 4.2 17.4 1.0 CG A:HIS510 4.2 15.9 1.0 ND1 A:HIS251 4.2 15.7 1.0 ND1 A:HIS510 4.2 15.5 1.0 CG2 A:THR156 4.2 18.1 1.0 ND1 A:HIS200 4.3 16.5 1.0 CG A:HIS200 4.4 17.2 1.0 CG A:HIS251 4.4 16.4 1.0 CG2 A:ILE509 4.6 12.8 1.0 C1 A:HBA601 4.7 20.2 1.0 C2 A:HBA601 4.9 18.6 1.0

Iron binding site 2 out of 2 in the Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to P- Hydroxybenzaldehyde


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to P- Hydroxybenzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:31.4 occ:1.00 O B:HOH899 1.7 47.8 1.0 NE2 B:HIS316 2.1 18.1 1.0 NE2 B:HIS200 2.2 15.9 1.0 NE2 B:HIS510 2.2 18.9 1.0 NE2 B:HIS251 2.3 22.2 1.0 CD2 B:HIS316 3.0 17.8 1.0 CE1 B:HIS251 3.1 22.7 1.0 CE1 B:HIS316 3.1 17.1 1.0 CD2 B:HIS510 3.1 18.5 1.0 CE1 B:HIS200 3.1 17.5 1.0 CD2 B:HIS200 3.2 17.2 1.0 CE1 B:HIS510 3.3 18.6 1.0 CD2 B:HIS251 3.4 22.2 1.0 O1' B:HBA601 4.1 34.9 1.0 CG B:HIS316 4.1 18.8 1.0 ND1 B:HIS316 4.1 18.3 1.0 CG2 B:THR156 4.2 15.7 1.0 C1' B:HBA601 4.2 28.7 1.0 ND1 B:HIS251 4.2 21.7 1.0 CG B:HIS510 4.3 18.7 1.0 ND1 B:HIS200 4.3 17.4 1.0 ND1 B:HIS510 4.3 19.1 1.0 CG B:HIS200 4.3 17.1 1.0 CG B:HIS251 4.4 22.1 1.0 CG2 B:ILE509 4.6 17.1 1.0 C1 B:HBA601 4.8 25.5 1.0

L.Schorber, J.Plewka, K.Magiera-Mularz, F.Rudroff, M.Winkler. Structure of Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis in Apo and Product Bound Forms Jacs Au 2025.
ISSN: ESSN 2691-3704
DOI: 10.1021/JACSAU.5C00456