Iron in PDB 8p46: Ipns Variant N252D in Complex with Fe and Ipn After O2 Exposure

All present enzymatic activity of Ipns Variant N252D in Complex with Fe and Ipn After O2 Exposure:
1.21.3.1;

The structure of Ipns Variant N252D in Complex with Fe and Ipn After O2 Exposure, PDB code: 8p46 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)	50.48 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.114, 74.143, 100.962, 90, 90, 90
R / Rfree (%)	19.1 / 22.8

The binding sites of Iron atom in the Ipns Variant N252D in Complex with Fe and Ipn After O2 Exposure (pdb code 8p46). 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 Variant N252D in Complex with Fe and Ipn After O2 Exposure, PDB code: 8p46:

Iron binding site 1 out of 1 in the Ipns Variant N252D in Complex with Fe and Ipn After 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 Variant N252D in Complex with Fe and Ipn After O2 Exposure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:32.3 occ:0.90 NE2 A:HIS214 2.2 20.6 1.0 OD1 A:ASP216 2.2 20.0 1.0 NE2 A:HIS270 2.2 19.2 1.0 O A:HOH565 2.3 25.0 1.0 S17 A:IP1406 2.7 33.6 1.0 CE1 A:HIS214 3.1 20.1 1.0 CD2 A:HIS270 3.1 22.5 1.0 CG A:ASP216 3.1 18.8 1.0 CD2 A:HIS214 3.2 18.8 1.0 HD2 A:HIS270 3.2 27.0 1.0 CE1 A:HIS270 3.2 20.2 1.0 OD2 A:ASP216 3.4 21.8 1.0 C33 A:IP1406 3.4 33.4 1.0 HE1 A:HIS270 3.5 24.2 1.0 C32 A:IP1406 3.7 34.8 1.0 C16 A:IP1406 3.7 32.5 1.0 ND1 A:HIS214 4.2 18.1 1.0 O A:HOH753 4.3 26.4 1.0 CG A:HIS214 4.3 22.0 1.0 HA A:ASP216 4.3 21.6 1.0 CG A:HIS270 4.3 16.8 1.0 HE1 A:PHE285 4.3 27.2 1.0 ND1 A:HIS270 4.3 18.0 1.0 C37 A:IP1406 4.4 29.3 1.0 O A:HOH736 4.5 24.4 1.0 CB A:ASP216 4.5 18.5 1.0 CA A:ASP216 4.8 18.0 1.0 HG21 A:THR221 4.8 21.6 1.0 N29 A:IP1406 4.9 32.1 1.0 C12 A:IP1406 4.9 32.5 1.0 HZ A:PHE285 5.0 23.9 1.0 C30 A:IP1406 5.0 33.0 1.0 HG1 A:THR221 5.0 20.1 1.0 HB3 A:ASP216 5.0 22.2 1.0 N A:ASP216 5.0 17.0 1.0

P.Rabe, C.J.Schofield. Ipns Variant N252D in Complex with Fe and Ipn After O2 Exposure To Be Published.