Iron in PDB 6oxh: X-Ray Crystal Structure of His-Tagged Y140F FTMOX1 Bound to Fe(II) and 2-Oxoglutarate

All present enzymatic activity of X-Ray Crystal Structure of His-Tagged Y140F FTMOX1 Bound to Fe(II) and 2-Oxoglutarate:
1.14.11.38;

The structure of X-Ray Crystal Structure of His-Tagged Y140F FTMOX1 Bound to Fe(II) and 2-Oxoglutarate, PDB code: 6oxh was solved by N.P.Dunham, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.96 / 1.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.512, 79.362, 91.511, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 25.8

The binding sites of Iron atom in the X-Ray Crystal Structure of His-Tagged Y140F FTMOX1 Bound to Fe(II) and 2-Oxoglutarate (pdb code 6oxh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Crystal Structure of His-Tagged Y140F FTMOX1 Bound to Fe(II) and 2-Oxoglutarate, PDB code: 6oxh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Crystal Structure of His-Tagged Y140F FTMOX1 Bound to Fe(II) and 2-Oxoglutarate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of His-Tagged Y140F FTMOX1 Bound to Fe(II) and 2-Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:30.6 occ:1.00 O1 A:AKG302 2.1 35.0 1.0 OD1 A:ASP131 2.2 21.1 1.0 NE2 A:HIS205 2.4 20.9 1.0 O5 A:AKG302 2.5 33.1 1.0 O A:HOH406 2.5 25.0 1.0 NE2 A:HIS129 2.5 23.3 1.0 C1 A:AKG302 2.9 35.0 1.0 CG A:ASP131 3.1 21.5 1.0 C2 A:AKG302 3.1 34.5 1.0 OD2 A:ASP131 3.2 21.2 1.0 CD2 A:HIS205 3.3 20.7 1.0 CE1 A:HIS205 3.4 20.7 1.0 CE1 A:HIS129 3.4 23.4 1.0 CD2 A:HIS129 3.5 23.3 1.0 O2 A:AKG302 4.1 35.1 1.0 OH A:TYR224 4.1 17.6 1.0 ND1 A:HIS205 4.4 20.8 1.0 CG A:HIS205 4.4 20.6 1.0 CB A:ASP131 4.5 21.3 1.0 ND1 A:HIS129 4.5 23.3 1.0 C3 A:AKG302 4.6 34.2 1.0 CG A:HIS129 4.6 23.4 1.0 OE1 A:GLN126 4.9 35.7 1.0 CA A:ASP131 5.0 21.6 1.0

Iron binding site 2 out of 2 in the X-Ray Crystal Structure of His-Tagged Y140F FTMOX1 Bound to Fe(II) and 2-Oxoglutarate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Crystal Structure of His-Tagged Y140F FTMOX1 Bound to Fe(II) and 2-Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:26.1 occ:1.00 O1 B:AKG302 2.2 24.1 1.0 O5 B:AKG302 2.2 22.8 1.0 OD1 B:ASP131 2.3 24.5 1.0 O B:HOH413 2.3 26.2 1.0 NE2 B:HIS205 2.4 24.6 1.0 NE2 B:HIS129 2.6 32.7 1.0 C1 B:AKG302 2.9 23.8 1.0 C2 B:AKG302 2.9 23.6 1.0 CD2 B:HIS205 3.2 24.9 1.0 CG B:ASP131 3.2 25.3 1.0 CE1 B:HIS205 3.4 24.9 1.0 CD2 B:HIS129 3.4 32.9 1.0 OD2 B:ASP131 3.4 24.9 1.0 CE1 B:HIS129 3.5 32.7 1.0 OH B:TYR224 4.0 19.6 1.0 O2 B:AKG302 4.1 24.2 1.0 CG B:HIS205 4.3 25.1 1.0 C3 B:AKG302 4.4 23.5 1.0 ND1 B:HIS205 4.4 25.3 1.0 CG B:HIS129 4.5 32.9 1.0 ND1 B:HIS129 4.6 33.0 1.0 CB B:ASP131 4.6 25.5 1.0 OE1 B:GLN126 4.8 35.0 1.0 C4 B:AKG302 4.9 23.6 1.0

N.P.Dunham, J.M.Del Rio Pantoja, B.Zhang, L.J.Rajakovich, B.D.Allen, C.Krebs, A.K.Boal, J.M.Bollinger Jr.. Hydrogen Donation But Not Abstraction By A Tyrosine (Y68) During Endoperoxide Installation By Verruculogen Synthase (FTMOX1). J.Am.Chem.Soc. V. 141 9964 2019.
ISSN: ESSN 1520-5126
PubMed: 31117657
DOI: 10.1021/JACS.9B03567