Cobalt in PDB 9j1h: The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate

All present enzymatic activity of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate:
1.14.11.38;

The structure of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate, PDB code: 9j1h was solved by X.Y.Wang, J.Wang, W.P.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.95 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.032, 62.077, 151.02, 90, 90, 90
R / Rfree (%)	17.2 / 19.4

The structure of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Cobalt atom in the The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate (pdb code 9j1h). 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 Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate, PDB code: 9j1h:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:29.0 occ:1.00 O2 A:AKG402 1.9 32.1 1.0 NE2 A:HIS129 2.0 31.7 1.0 O A:HOH503 2.0 29.5 1.0 O5 A:AKG402 2.2 32.0 1.0 OD1 A:ASP131 2.4 31.4 1.0 NE2 A:HIS205 2.7 30.7 1.0 C1 A:AKG402 2.7 32.1 1.0 C2 A:AKG402 2.8 32.9 1.0 CE1 A:HIS129 2.9 31.9 1.0 CD2 A:HIS129 3.0 32.5 1.0 CG A:ASP131 3.3 30.1 1.0 CD2 A:HIS205 3.5 30.4 1.0 OD2 A:ASP131 3.5 28.9 1.0 CE1 A:HIS205 3.6 29.8 1.0 O1 A:AKG402 3.9 32.6 1.0 ND1 A:HIS129 4.0 31.3 1.0 OH A:F2Y224 4.1 26.8 1.0 CG A:HIS129 4.1 30.7 1.0 O A:HOH661 4.3 30.8 1.0 C3 A:AKG402 4.3 32.4 1.0 CG A:HIS205 4.6 29.7 1.0 ND1 A:HIS205 4.6 29.4 1.0 OE1 A:GLN126 4.7 32.0 1.0 CD2 A:LEU222 4.7 29.0 1.0 CB A:ASP131 4.8 31.1 1.0 O3 A:AKG402 4.9 33.2 1.0

Cobalt binding site 2 out of 2 in the The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of The Binary Complex Structure of F2Y224-FTMOX1 Mutant with Alpha- Ketoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Co502 b:27.4 occ:1.00 O B:HOH617 1.9 27.9 1.0 NE2 B:HIS129 1.9 27.8 1.0 NE2 B:HIS205 2.1 28.8 1.0 OD1 B:ASP131 2.2 27.4 1.0 O5 B:AKG503 2.5 29.1 1.0 CE1 B:HIS129 2.5 28.9 1.0 O1 B:AKG503 2.7 29.7 1.0 CD2 B:HIS205 3.0 28.6 1.0 CE1 B:HIS205 3.0 28.2 1.0 CG B:ASP131 3.0 26.9 1.0 OD2 B:ASP131 3.1 26.9 1.0 CD2 B:HIS129 3.2 29.0 1.0 C2 B:AKG503 3.3 29.4 1.0 C1 B:AKG503 3.3 28.9 1.0 ND1 B:HIS129 3.7 28.1 1.0 OH B:F2Y224 4.0 26.9 1.0 ND1 B:HIS205 4.0 27.5 1.0 CG B:HIS205 4.1 27.9 1.0 CG B:HIS129 4.1 27.9 1.0 O B:HOH641 4.3 29.2 1.0 CB B:ASP131 4.4 26.6 1.0 F1 B:F2Y224 4.6 25.8 1.0 O2 B:AKG503 4.6 29.9 1.0 C3 B:AKG503 4.7 29.1 1.0 N B:ASP131 4.8 28.4 1.0 CA B:ASP131 4.9 27.6 1.0 CZ B:F2Y224 4.9 26.1 1.0 CD2 B:LEU222 4.9 25.9 1.0

X.Wang, L.Yang, S.Wang, J.Wang, K.Li, N.Naowarojna, Y.Ju, K.Ye, Y.Han, W.Yan, X.Liu, L.Zhang, P.Liu. Characterizing Y224 Conformational Flexibility in FTMOX1-Catalysis Using 19 F uc(Nmr) Spectroscopy. Catalysis Science and V. 15 386 2025TECHNOLOGY.
ISSN: ISSN 2044-4753
PubMed: 39669701
DOI: 10.1039/D4CY01077A