Cobalt in PDB 7etl: The Crystal Structure of FTMOX1-Y68F

All present enzymatic activity of The Crystal Structure of FTMOX1-Y68F:
1.14.11.38;

The structure of The Crystal Structure of FTMOX1-Y68F, PDB code: 7etl 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)	27.71 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.252, 45.383, 104.963, 90, 100.26, 90
R / Rfree (%)	17.1 / 22

The structure of The Crystal Structure of FTMOX1-Y68F also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Iron	(Fe)	1 atom

The binding sites of Cobalt atom in the The Crystal Structure of FTMOX1-Y68F (pdb code 7etl). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the The Crystal Structure of FTMOX1-Y68F, PDB code: 7etl:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the The Crystal Structure of FTMOX1-Y68F


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of The Crystal Structure of FTMOX1-Y68F within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:22.2 occ:1.00 NE2 A:HIS129 1.9 24.3 1.0 O2 A:AKG404 2.0 27.3 0.6 OD1 A:ASP131 2.0 19.6 1.0 NE2 A:HIS205 2.2 19.6 1.0 O5 A:AKG404 2.5 32.9 0.6 CD2 A:HIS129 2.8 23.9 1.0 C1 A:AKG404 2.9 30.8 0.6 CE1 A:HIS129 3.0 26.5 1.0 CG A:ASP131 3.0 22.2 1.0 CE1 A:HIS205 3.1 21.0 1.0 C2 A:AKG404 3.1 27.5 0.6 CD2 A:HIS205 3.2 21.1 1.0 OD2 A:ASP131 3.3 23.5 1.0 CG A:HIS129 4.0 20.6 1.0 O1 A:AKG404 4.0 29.7 0.6 ND1 A:HIS129 4.0 22.4 1.0 ND1 A:HIS205 4.2 20.3 1.0 CG A:HIS205 4.3 18.9 1.0 CB A:ASP131 4.4 19.1 1.0 C3 A:AKG404 4.6 24.9 0.6 OH A:TYR224 4.6 32.6 1.0 CA A:ASP131 4.7 20.4 1.0 O A:HOH502 4.8 35.6 1.0 N A:ASP131 4.8 19.6 1.0

Cobalt binding site 2 out of 2 in the The Crystal Structure of FTMOX1-Y68F


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of The Crystal Structure of FTMOX1-Y68F within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:33.1 occ:1.00 NE2 B:HIS129 2.1 27.6 1.0 NE2 B:HIS205 2.1 28.8 1.0 OD1 B:ASP131 2.2 26.2 1.0 O B:HOH583 2.3 32.6 1.0 CE1 B:HIS129 2.9 27.7 1.0 CG B:ASP131 3.0 31.2 1.0 CD2 B:HIS205 3.1 21.4 1.0 CE1 B:HIS205 3.1 25.6 1.0 OD2 B:ASP131 3.1 33.6 1.0 CD2 B:HIS129 3.1 24.6 1.0 ND1 B:HIS129 4.1 21.7 1.0 ND1 B:HIS205 4.2 24.0 1.0 CG B:HIS129 4.2 20.4 1.0 CG B:HIS205 4.2 23.3 1.0 CB B:ASP131 4.5 27.1 1.0 OE1 B:GLN126 4.5 37.0 1.0 OH B:TYR224 4.5 35.9 1.0 CA B:ASP131 4.9 26.8 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