Iron in PDB 8bsx: Ipns H270D Variant in Complex with Fe and Acv After 10 Min O2 Exposure

All present enzymatic activity of Ipns H270D Variant in Complex with Fe and Acv After 10 Min O2 Exposure:
1.21.3.1;

The structure of Ipns H270D Variant in Complex with Fe and Acv After 10 Min O2 Exposure, PDB code: 8bsx was solved by P.Rabe, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.29 / 1.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.352, 74.365, 101.402, 90, 90, 90
R / Rfree (%)	16.6 / 19.7

The binding sites of Iron atom in the Ipns H270D Variant in Complex with Fe and Acv After 10 Min O2 Exposure (pdb code 8bsx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ipns H270D Variant in Complex with Fe and Acv After 10 Min O2 Exposure, PDB code: 8bsx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ipns H270D Variant in Complex with Fe and Acv After 10 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 H270D Variant in Complex with Fe and Acv After 10 Min O2 Exposure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:9.8 occ:0.40 FE A:FE404 0.0 9.8 0.4 FE A:FE404 1.8 13.4 0.2 O A:HOH741 2.0 47.1 1.0 OD1 A:ASP270 2.0 22.9 1.0 O A:HOH722 2.2 20.4 1.0 O A:HOH612 2.2 21.9 1.0 OD1 A:ASP216 2.2 19.3 1.0 NE2 A:HIS214 2.4 19.6 1.0 CG A:ASP270 2.8 24.9 1.0 OD2 A:ASP270 3.0 34.4 1.0 CG A:ASP216 3.1 12.7 1.0 CD2 A:HIS214 3.2 16.8 1.0 CE1 A:HIS214 3.3 16.7 1.0 OD2 A:ASP216 3.5 13.2 1.0 O A:HOH795 4.1 26.2 1.0 CB A:ASP270 4.2 17.4 1.0 S17 A:ACV403 4.2 13.5 0.5 ND1 A:HIS214 4.3 16.7 1.0 CG A:HIS214 4.3 20.2 1.0 O A:HIS214 4.3 15.2 1.0 N A:ASP216 4.4 13.5 1.0 CB A:ASP216 4.4 12.9 1.0 N A:ASP270 4.4 14.7 1.0 O A:HOH652 4.6 17.4 1.0 CA A:ASP216 4.7 14.0 1.0 O A:PRO268 4.7 15.4 1.0 CA A:ASP270 4.7 14.0 1.0 C33 A:ACV403 4.8 18.3 0.5 C37 A:ACV403 4.9 15.9 0.5 O A:ASP270 4.9 14.4 1.0 C A:GLU215 4.9 14.5 1.0

Iron binding site 2 out of 2 in the Ipns H270D Variant in Complex with Fe and Acv After 10 Min O2 Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ipns H270D Variant in Complex with Fe and Acv After 10 Min O2 Exposure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:13.4 occ:0.20 FE A:FE404 0.0 13.4 0.2 FE A:FE404 1.8 9.8 0.4 O A:HOH741 1.8 47.1 1.0 NE2 A:HIS214 1.9 19.6 1.0 OD1 A:ASP216 2.0 19.3 1.0 S17 A:ACV403 2.5 13.5 0.5 CD2 A:HIS214 2.8 16.8 1.0 CG A:ASP216 3.0 12.7 1.0 CE1 A:HIS214 3.0 16.7 1.0 OD1 A:ASP270 3.4 22.9 1.0 C16 A:ACV403 3.4 12.8 0.5 OD2 A:ASP216 3.5 13.2 1.0 O A:HOH722 3.5 20.4 1.0 O A:HOH612 3.6 21.9 1.0 S17 A:ACV403 3.7 22.9 0.5 C33 A:ACV403 3.9 18.3 0.5 CG A:HIS214 4.0 20.2 1.0 C37 A:ACV403 4.0 15.9 0.5 ND1 A:HIS214 4.1 16.7 1.0 O A:HOH795 4.1 26.2 1.0 C37 A:ACV403 4.2 16.1 0.5 CG A:ASP270 4.2 24.9 1.0 CB A:ASP216 4.2 12.9 1.0 OD2 A:ASP270 4.3 34.4 1.0 C32 A:ACV403 4.3 14.5 0.5 CA A:ASP216 4.4 14.0 1.0 N A:ASP216 4.6 13.5 1.0 C32 A:ACV403 4.7 17.5 0.5 C12 A:ACV403 4.7 11.5 0.5 C13 A:ACV403 5.0 11.8 0.5 O A:HOH724 5.0 18.8 1.0

P.Rabe, C.J.Schofield. Ipns H270D Variant in Complex with Fe and Acv After 10 Min O2 Exposure To Be Published.