Iron in PDB 8ali: Ipns H270E Variant in Complex with Fe and Acv After 30 Min O2 Exposure

All present enzymatic activity of Ipns H270E Variant in Complex with Fe and Acv After 30 Min O2 Exposure:
1.21.3.1;

The structure of Ipns H270E Variant in Complex with Fe and Acv After 30 Min O2 Exposure, PDB code: 8ali was solved by P.Rabe, C.J.Schfoeidl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.86 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.06, 74.308, 101.02, 90, 90, 90
R / Rfree (%)	19.3 / 21.5

The binding sites of Iron atom in the Ipns H270E Variant in Complex with Fe and Acv After 30 Min O2 Exposure (pdb code 8ali). 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 Ipns H270E Variant in Complex with Fe and Acv After 30 Min O2 Exposure, PDB code: 8ali:

Iron binding site 1 out of 1 in the Ipns H270E Variant in Complex with Fe and Acv After 30 Min O2 Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ipns H270E Variant in Complex with Fe and Acv After 30 Min O2 Exposure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe406 b:21.6 occ:0.75 OE2 A:GLU270 1.8 24.0 0.5 OD1 A:ASP216 2.0 25.8 1.0 NE2 A:HIS214 2.1 20.6 1.0 OE2 A:GLU270 2.3 26.4 0.5 S17 A:ACV405 2.3 19.9 0.8 CD A:GLU270 2.8 21.4 0.5 CD A:GLU270 2.9 21.6 0.5 CD2 A:HIS214 3.0 20.3 1.0 CG A:ASP216 3.0 20.9 1.0 HD2 A:HIS214 3.1 24.5 1.0 CE1 A:HIS214 3.2 21.7 1.0 C16 A:ACV405 3.2 26.9 0.8 S17 A:ACV405 3.2 28.3 0.2 CG A:GLU270 3.4 20.0 0.5 HE1 A:HIS214 3.4 26.1 1.0 CG A:GLU270 3.4 20.1 0.5 OE1 A:GLU270 3.5 20.5 0.5 OD2 A:ASP216 3.5 18.2 1.0 C33 A:ACV405 3.6 24.5 0.2 C37 A:ACV405 3.7 24.9 0.2 HA A:ASP216 4.0 22.2 1.0 OE1 A:GLU270 4.0 20.9 0.5 O A:HOH679 4.0 21.9 1.0 C33 A:ACV405 4.0 24.1 0.8 CG A:HIS214 4.1 21.0 1.0 ND1 A:HIS214 4.2 19.4 1.0 CB A:ASP216 4.3 20.0 1.0 C32 A:ACV405 4.3 24.4 0.2 C37 A:ACV405 4.4 26.5 0.8 O A:HOH652 4.4 19.2 0.5 HE1 A:PHE285 4.5 23.3 1.0 CA A:ASP216 4.5 18.5 1.0 C12 A:ACV405 4.6 25.9 0.8 N29 A:ACV405 4.6 25.4 0.8 N A:ASP216 4.7 19.3 1.0 HB3 A:ASP216 4.7 24.1 1.0 H A:ASP216 4.8 23.2 1.0 C32 A:ACV405 4.8 24.5 0.8 C13 A:ACV405 4.8 25.5 0.8 CB A:GLU270 4.8 19.7 0.5 O A:HOH646 4.8 23.2 1.0 HG21 A:THR221 4.9 21.1 1.0 HE2 A:PHE211 4.9 30.9 1.0 C16 A:ACV405 4.9 26.4 0.2 CB A:GLU270 4.9 19.3 0.5 HB2 A:ASP216 5.0 24.1 1.0

P.Rabe, C.J.Schfoeidl. Ipns H270E Variant in Complex with Fe and Acv After 30 Min O2 Exposure To Be Published.