Iron in PDB 7etk: The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom

All present enzymatic activity of The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom:
1.14.11.38;

The structure of The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom, PDB code: 7etk was solved by J.H.Zhou, L.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.22 / 1.22
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.024, 77.782, 62.208, 90, 103.71, 90
R / Rfree (%)	15 / 17.2

The binding sites of Iron atom in the The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom (pdb code 7etk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom, PDB code: 7etk:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:11.8 occ:1.00 OD1 A:ASP131 2.1 12.0 1.0 O1 A:AKG401 2.2 14.1 1.0 NE2 A:HIS205 2.2 12.4 1.0 NE2 A:HIS129 2.2 12.8 1.0 O5 A:AKG401 2.2 14.7 1.0 O A:HOH516 2.3 17.5 1.0 C1 A:AKG401 2.8 13.7 1.0 C2 A:AKG401 2.9 13.2 1.0 CG A:ASP131 3.1 12.8 1.0 CD2 A:HIS205 3.1 12.0 1.0 CE1 A:HIS205 3.2 12.7 1.0 CD2 A:HIS129 3.2 12.3 1.0 CE1 A:HIS129 3.2 12.4 1.0 OD2 A:ASP131 3.3 13.5 1.0 O2 A:AKG401 4.0 14.4 1.0 ND1 A:HIS205 4.2 12.6 1.0 CG A:HIS205 4.2 12.6 1.0 ND1 A:HIS129 4.3 12.9 1.0 CG A:HIS129 4.3 12.4 1.0 C3 A:AKG401 4.3 14.2 1.0 CB A:ASP131 4.4 12.7 1.0 C21 A:4Q1407 4.6 14.6 1.0 C26 A:4Q1407 4.7 14.9 1.0 N A:ASP131 4.8 12.2 1.0 CA A:ASP131 4.8 12.3 1.0 C4 A:AKG401 4.9 14.0 1.0 CD2 A:LEU222 4.9 15.6 1.0

Iron binding site 2 out of 4 in the The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:25.3 occ:1.00 OE2 A:GLU162 2.3 26.6 1.0 O A:HOH740 2.4 32.3 1.0 O A:HOH737 2.4 35.1 1.0 CD A:GLU162 3.1 24.7 1.0 CG A:GLU162 3.3 21.6 1.0 O A:HOH680 4.0 35.0 1.0 OE1 A:GLU162 4.3 26.4 1.0 OE1 A:GLU161 4.8 33.7 1.0 CB A:GLU162 4.8 18.4 1.0

Iron binding site 3 out of 4 in the The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:12.4 occ:1.00 O1 B:AKG401 2.1 14.7 1.0 OD1 B:ASP131 2.1 13.3 1.0 NE2 B:HIS205 2.2 13.9 1.0 NE2 B:HIS129 2.2 13.6 1.0 O5 B:AKG401 2.2 15.4 1.0 O B:HOH508 2.3 18.6 1.0 C1 B:AKG401 2.8 13.8 1.0 C2 B:AKG401 2.9 14.6 1.0 CG B:ASP131 3.0 12.4 1.0 CD2 B:HIS205 3.1 12.8 1.0 CE1 B:HIS205 3.1 12.2 1.0 CD2 B:HIS129 3.1 12.9 1.0 CE1 B:HIS129 3.2 12.6 1.0 OD2 B:ASP131 3.2 13.8 1.0 O2 B:AKG401 4.0 14.8 1.0 ND1 B:HIS205 4.2 13.1 1.0 CG B:HIS205 4.2 12.2 1.0 ND1 B:HIS129 4.3 12.6 1.0 CG B:HIS129 4.3 12.3 1.0 C3 B:AKG401 4.3 14.6 1.0 CB B:ASP131 4.4 12.8 1.0 C21 B:4Q1404 4.6 13.3 1.0 N B:ASP131 4.8 11.9 1.0 C26 B:4Q1404 4.8 14.7 1.0 CA B:ASP131 4.8 12.2 1.0 CD2 B:LEU222 4.8 16.7 1.0 C4 B:AKG401 4.9 14.2 1.0

Iron binding site 4 out of 4 in the The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Complex Structure of FTMOX1 Bond with Fumitremorgen B at 1.22 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe403 b:61.0 occ:1.00 OE1 B:GLU161 2.3 32.5 1.0 O B:HOH701 2.3 38.5 1.0 O B:HOH725 2.4 40.5 1.0 CD B:GLU161 3.1 30.7 1.0 OE2 B:GLU161 3.1 32.5 1.0 CG B:GLU161 4.5 26.6 1.0

J.Zhou, L.Wu, Z.Wang, Y.Cen, B.Wang. Structural Insight Into the Catalytic Mechanism of the Endoperoxide Synthase FTMOX1. Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
PubMed: 34796596
DOI: 10.1002/ANIE.202112063