Iron in PDB 9g8f: Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to Orto Vanillin

The structure of Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to Orto Vanillin, PDB code: 9g8f 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)	48.76 / 1.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.883, 84.937, 107.02, 90, 108.4, 90
R / Rfree (%)	21 / 25.9

The binding sites of Iron atom in the Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to Orto Vanillin (pdb code 9g8f). 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 Orto Vanillin, PDB code: 9g8f:
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 Orto Vanillin


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 Orto Vanillin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:14.9 occ:1.00 O A:HOH884 2.1 13.5 1.0 NE2 A:HIS316 2.1 12.8 1.0 NE2 A:HIS251 2.2 15.4 1.0 NE2 A:HIS510 2.2 11.9 1.0 NE2 A:HIS200 2.2 11.3 1.0 CD2 A:HIS316 3.0 13.3 1.0 CD2 A:HIS510 3.0 12.9 1.0 CE1 A:HIS251 3.1 17.6 1.0 CE1 A:HIS316 3.1 11.0 1.0 CD2 A:HIS200 3.1 10.7 1.0 CE1 A:HIS200 3.2 9.2 1.0 CE1 A:HIS510 3.2 15.4 1.0 CD2 A:HIS251 3.2 14.7 1.0 O3 A:V9L601 3.6 22.4 1.0 C8 A:V9L601 4.1 25.8 1.0 CG A:HIS316 4.1 11.5 1.0 ND1 A:HIS316 4.1 11.9 1.0 ND1 A:HIS251 4.2 16.4 1.0 CG2 A:THR156 4.2 15.5 1.0 CG A:HIS510 4.2 12.5 1.0 ND1 A:HIS510 4.3 14.9 1.0 ND1 A:HIS200 4.3 9.1 1.0 CG A:HIS251 4.3 13.8 1.0 CG A:HIS200 4.3 10.6 1.0 C2 A:V9L601 4.7 23.4 1.0 CG2 A:ILE509 4.7 12.4 1.0 O1 A:V9L601 5.0 42.8 1.0

Iron binding site 2 out of 2 in the Carotenoid Cleavage Oxygenase From Moesziomyces Aphidis Bound to Orto Vanillin


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 Orto Vanillin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:14.9 occ:1.00 O B:HOH999 2.0 13.0 1.0 NE2 B:HIS251 2.1 15.9 1.0 NE2 B:HIS200 2.2 14.0 1.0 NE2 B:HIS510 2.2 15.2 1.0 NE2 B:HIS316 2.2 17.5 1.0 CE1 B:HIS251 3.0 14.8 1.0 CD2 B:HIS316 3.0 15.8 1.0 CD2 B:HIS510 3.1 15.8 1.0 CD2 B:HIS200 3.1 11.5 1.0 CD2 B:HIS251 3.1 14.4 1.0 CE1 B:HIS200 3.2 12.1 1.0 CE1 B:HIS510 3.2 15.3 1.0 CE1 B:HIS316 3.2 16.0 1.0 O3 B:V9L601 3.8 22.8 1.0 C8 B:V9L601 4.1 21.0 1.0 CG2 B:THR156 4.1 20.1 1.0 ND1 B:HIS251 4.2 18.1 1.0 CG B:HIS316 4.2 15.5 1.0 CG B:HIS510 4.2 14.8 1.0 ND1 B:HIS510 4.2 16.7 1.0 ND1 B:HIS316 4.2 14.1 1.0 CG B:HIS251 4.2 14.1 1.0 ND1 B:HIS200 4.3 12.3 1.0 CG B:HIS200 4.3 11.7 1.0 C2 B:V9L601 4.6 24.8 1.0 O1 B:V9L601 4.7 47.7 1.0 CG2 B:ILE509 4.7 16.3 1.0 C1 B:V9L601 4.9 26.8 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