Iron in PDB 7eeh: Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal

The structure of Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal, PDB code: 7eeh was solved by R.Bunno, T.Mori, T.Awakawa, I.Abe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.48 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.746, 99.488, 193.925, 90, 90, 90
R / Rfree (%)	23.2 / 26.1

The binding sites of Iron atom in the Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal (pdb code 7eeh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal, PDB code: 7eeh:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:24.4 occ:1.00 O2 A:TRS401 2.0 32.1 1.0 OD1 A:ASP186 2.1 25.0 1.0 O A:HOH555 2.1 26.9 1.0 NE2 A:HIS253 2.1 25.8 1.0 NE2 A:HIS184 2.2 29.3 1.0 N A:TRS401 2.3 27.7 1.0 C2 A:TRS401 2.7 32.5 1.0 C A:TRS401 3.0 32.3 1.0 CD2 A:HIS253 3.0 27.3 1.0 CE1 A:HIS184 3.0 30.8 1.0 CG A:ASP186 3.1 26.8 1.0 CE1 A:HIS253 3.2 26.1 1.0 CD2 A:HIS184 3.2 26.0 1.0 OD2 A:ASP186 3.4 25.6 1.0 C1 A:TRS401 3.7 34.7 1.0 O1 A:TRS401 4.1 42.3 1.0 CG A:HIS253 4.2 27.6 1.0 ND1 A:HIS184 4.2 30.9 1.0 ND1 A:HIS253 4.2 27.9 1.0 CG A:HIS184 4.3 28.8 1.0 C3 A:TRS401 4.3 33.5 1.0 CB A:ASP186 4.5 23.8 1.0 OE1 A:GLU181 4.7 49.8 1.0 N A:ASP186 4.9 24.2 1.0 CA A:ASP186 4.9 23.1 1.0

Iron binding site 2 out of 4 in the Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:24.3 occ:1.00 O3 B:TRS401 1.7 34.8 1.0 OD1 B:ASP186 2.1 22.9 1.0 NE2 B:HIS253 2.1 26.1 1.0 NE2 B:HIS184 2.2 25.9 1.0 N B:TRS401 2.2 26.4 1.0 O B:HOH538 2.3 27.3 1.0 C3 B:TRS401 2.7 32.0 1.0 C B:TRS401 2.8 35.1 1.0 CG B:ASP186 3.0 23.6 1.0 CD2 B:HIS253 3.1 25.7 1.0 CD2 B:HIS184 3.1 27.3 1.0 CE1 B:HIS253 3.1 26.3 1.0 CE1 B:HIS184 3.2 29.5 1.0 OD2 B:ASP186 3.3 26.0 1.0 C1 B:TRS401 3.4 45.7 1.0 O1 B:TRS401 3.7 49.4 1.0 CG B:HIS253 4.2 25.4 1.0 ND1 B:HIS253 4.2 25.6 1.0 C2 B:TRS401 4.2 39.9 1.0 CG B:HIS184 4.3 28.9 1.0 ND1 B:HIS184 4.3 31.8 1.0 CB B:ASP186 4.4 21.3 1.0 CE1 B:PHE275 4.8 21.9 1.0 OE1 B:GLU181 4.8 46.4 1.0 CA B:ASP186 4.8 21.9 1.0 N B:ASP186 4.9 23.3 1.0

Iron binding site 3 out of 4 in the Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe402 b:26.8 occ:1.00 NE2 C:HIS184 2.1 28.5 1.0 OD1 C:ASP186 2.1 24.6 1.0 NE2 C:HIS253 2.2 25.1 1.0 O C:HOH520 2.2 28.9 1.0 O1 C:TRS401 2.2 27.0 1.0 N C:TRS401 2.4 32.4 1.0 C1 C:TRS401 2.9 45.2 1.0 CE1 C:HIS184 3.0 29.6 1.0 CD2 C:HIS253 3.0 28.2 1.0 CG C:ASP186 3.1 26.4 1.0 CD2 C:HIS184 3.1 27.5 1.0 C C:TRS401 3.1 47.1 1.0 CE1 C:HIS253 3.2 26.6 1.0 OD2 C:ASP186 3.3 27.3 1.0 O2 C:TRS401 3.7 45.4 1.0 C2 C:TRS401 3.8 44.5 1.0 ND1 C:HIS184 4.1 28.3 1.0 CG C:HIS253 4.2 25.8 1.0 CG C:HIS184 4.2 29.8 1.0 ND1 C:HIS253 4.3 25.7 1.0 CB C:ASP186 4.5 21.6 1.0 C3 C:TRS401 4.5 50.1 1.0 OE1 C:GLU181 4.5 45.7 1.0 CE1 C:PHE275 4.9 25.3 1.0 CA C:ASP186 4.9 25.7 1.0 N C:ASP186 5.0 24.9 1.0

Iron binding site 4 out of 4 in the Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Selenomethionine Labeled Fe(II)/(Alpha)Ketoglutarate-Dependent Dioxygenase Tqal within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe402 b:23.0 occ:1.00 O2 D:TRS401 2.0 31.1 1.0 NE2 D:HIS184 2.1 26.1 1.0 NE2 D:HIS253 2.1 23.9 1.0 OD1 D:ASP186 2.1 23.6 1.0 O D:HOH549 2.2 27.3 1.0 N D:TRS401 2.2 24.6 1.0 C2 D:TRS401 2.7 31.1 1.0 C D:TRS401 2.9 30.9 1.0 CD2 D:HIS253 3.0 26.3 1.0 CD2 D:HIS184 3.0 26.6 1.0 CE1 D:HIS184 3.1 26.7 1.0 CE1 D:HIS253 3.1 22.6 1.0 CG D:ASP186 3.1 24.5 1.0 OD2 D:ASP186 3.4 25.1 1.0 C1 D:TRS401 3.7 38.0 1.0 ND1 D:HIS184 4.2 28.6 1.0 ND1 D:HIS253 4.2 24.9 1.0 CG D:HIS253 4.2 26.4 1.0 CG D:HIS184 4.2 29.1 1.0 C3 D:TRS401 4.2 33.6 1.0 O1 D:TRS401 4.4 43.6 1.0 OE1 D:GLU181 4.5 41.7 1.0 CB D:ASP186 4.5 20.9 1.0 CA D:ASP186 4.9 22.1 1.0 N D:ASP186 5.0 19.6 1.0 OE2 D:GLU181 5.0 45.0 1.0

I.Abe, R.Bunno, T.Awakawa, T.Mori. Aziridine Formation By A Fe(II)/ Alpha-Ketoglutarate Dependent Oxygenase and 2-Aminoisobutyrate Biosynthesis in Fungi. Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
PubMed: 33973699
DOI: 10.1002/ANIE.202104644