Iron in PDB 6l6x: The Structure of Scoe with Substrate

The structure of The Structure of Scoe with Substrate, PDB code: 6l6x was solved by T.Y.Chen, J.Chen, J.Zhou, W.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.93 / 2.18
Space group	P 42
Cell size a, b, c (Å), α, β, γ (°)	97.200, 97.200, 70.030, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 18.8

The binding sites of Iron atom in the The Structure of Scoe with Substrate (pdb code 6l6x). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the The Structure of Scoe with Substrate, PDB code: 6l6x:

Iron binding site 1 out of 1 in the The Structure of Scoe with Substrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of Scoe with Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:33.2 occ:1.00 O11 A:TAR403 2.2 32.5 1.0 OD1 A:ASP134 2.3 31.1 1.0 NE2 A:HIS295 2.3 26.3 1.0 O A:HOH515 2.3 34.7 1.0 NE2 A:HIS132 2.4 32.4 1.0 O A:HOH607 2.4 31.9 1.0 C1 A:TAR403 3.1 36.9 1.0 CE1 A:HIS295 3.2 27.1 1.0 CG A:ASP134 3.2 33.4 1.0 CD2 A:HIS132 3.2 28.9 1.0 CE1 A:HIS132 3.3 28.8 1.0 O1 A:TAR403 3.4 33.9 1.0 CD2 A:HIS295 3.4 26.8 1.0 OD2 A:ASP134 3.4 30.6 1.0 NH1 A:ARG310 3.8 26.9 1.0 ND1 A:HIS295 4.3 28.9 1.0 O3 A:TAR403 4.4 34.7 1.0 ND1 A:HIS132 4.4 29.9 1.0 CG A:HIS132 4.4 29.2 1.0 C2 A:TAR403 4.4 35.5 1.0 CG A:HIS295 4.5 30.2 1.0 CB A:ASP134 4.6 30.6 1.0 O2 A:TAR403 4.7 35.1 1.0 CA A:ASP134 4.9 27.6 1.0 CA A:7UC401 4.9 31.9 1.0 C3 A:TAR403 5.0 42.2 1.0

W.C.Chang, T.Y.Chen, J.Chen, Y.Tang, J.Zhou, Y.Guo. Pathway From N-Alkylglycine to Alkylisonitrile Catalyzed By Iron(II) and 2-Oxoglutarate Dependent Oxygenases. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 32074393
DOI: 10.1002/ANIE.201914896