Iron in PDB 5iqu: WELO5 G166D Variant Bound to Fe(II), 2-Oxoglutarate, and 12- Epifischerindole U

The structure of WELO5 G166D Variant Bound to Fe(II), 2-Oxoglutarate, and 12- Epifischerindole U, PDB code: 5iqu was solved by A.J.Mitchell, A.O.Maggiolo, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.51
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.107, 54.127, 74.639, 90.00, 90.79, 90.00
R / Rfree (%)	22.3 / 26.2

The binding sites of Iron atom in the WELO5 G166D Variant Bound to Fe(II), 2-Oxoglutarate, and 12- Epifischerindole U (pdb code 5iqu). 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 WELO5 G166D Variant Bound to Fe(II), 2-Oxoglutarate, and 12- Epifischerindole U, PDB code: 5iqu:

Iron binding site 1 out of 1 in the WELO5 G166D Variant Bound to Fe(II), 2-Oxoglutarate, and 12- Epifischerindole U


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of WELO5 G166D Variant Bound to Fe(II), 2-Oxoglutarate, and 12- Epifischerindole U within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:35.0 occ:1.00 O5 A:AKG302 2.2 41.9 1.0 OD2 A:ASP166 2.3 53.1 1.0 O A:HOH426 2.3 33.0 1.0 O1 A:AKG302 2.3 44.1 1.0 NE2 A:HIS259 2.4 31.5 1.0 NE2 A:HIS164 2.4 41.6 1.0 C2 A:AKG302 3.0 43.1 1.0 C1 A:AKG302 3.0 43.6 1.0 CG A:ASP166 3.1 53.1 1.0 OD1 A:ASP166 3.2 54.8 1.0 CE1 A:HIS259 3.3 30.8 1.0 CD2 A:HIS164 3.3 40.5 1.0 CD2 A:HIS259 3.3 31.4 1.0 CE1 A:HIS164 3.4 40.9 1.0 O2 A:AKG302 4.3 43.9 1.0 ND1 A:HIS164 4.4 41.2 1.0 CG A:HIS164 4.4 40.8 1.0 C3 A:AKG302 4.4 41.7 1.0 ND1 A:HIS259 4.4 31.3 1.0 CG A:HIS259 4.5 31.7 1.0 CB A:ASP166 4.5 52.1 1.0 OG A:SER189 4.5 34.2 1.0 CAL A:6CU303 4.6 55.5 1.0 CAK A:6CU303 4.8 55.8 1.0 CZ A:PHE252 4.9 33.4 1.0 CE1 A:PHE276 5.0 37.4 1.0

A.J.Mitchell, Q.Zhu, A.O.Maggiolo, N.R.Ananth, M.L.Hillwig, X.Liu, A.K.Boal. Structural Basis For Halogenation By Iron- and 2-Oxo-Glutarate-Dependent Enzyme WELO5. Nat.Chem.Biol. V. 12 636 2016.
ISSN: ESSN 1552-4469
PubMed: 27348090
DOI: 10.1038/NCHEMBIO.2112