Iron in PDB 8a82: Fe(II)/Akg-Dependent Halogenase Oocpq

The structure of Fe(II)/Akg-Dependent Halogenase Oocpq, PDB code: 8a82 was solved by A.E.Fraley, R.A.Meoded, M.Schmalhofer, C.Bergande, M.Groll, J.Piel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.05
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	157.16, 59.92, 68.32, 90, 100.11, 90
R / Rfree (%)	19 / 22.7

The binding sites of Iron atom in the Fe(II)/Akg-Dependent Halogenase Oocpq (pdb code 8a82). 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 Fe(II)/Akg-Dependent Halogenase Oocpq, PDB code: 8a82:

Iron binding site 1 out of 1 in the Fe(II)/Akg-Dependent Halogenase Oocpq


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fe(II)/Akg-Dependent Halogenase Oocpq within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:74.5 occ:1.00 O A:HOH1104 2.2 70.4 1.0 NE2 A:HIS302 2.3 35.6 1.0 O A:HOH1095 2.3 72.9 1.0 O A:HOH1105 2.4 68.3 1.0 NE2 A:HIS220 2.5 41.5 1.0 O A:HOH1103 2.6 68.5 1.0 CE1 A:HIS302 3.1 35.8 1.0 CE1 A:HIS220 3.1 41.1 1.0 CD2 A:HIS302 3.4 35.2 1.0 CD2 A:HIS220 3.6 40.4 1.0 ND1 A:HIS302 4.2 35.3 1.0 ND1 A:HIS220 4.3 40.0 1.0 CG A:HIS302 4.4 35.0 1.0 CG A:HIS220 4.6 39.4 1.0 CZ A:PHE296 4.7 46.4 1.0

A.E.Fraley, R.A.Meoded, M.Schmalhofer, C.Bergande, M.Groll, J.Piel. Fe(II)/Akg-Dependent Halogenase Oocpq To Be Published 2023.
DOI: 10.1016/J.STR.2023.02.010