Iron in PDB 8py6: Isopenicillin N Synthase in Complex with Fe and Acdv Under Anaerobic Conditions

All present enzymatic activity of Isopenicillin N Synthase in Complex with Fe and Acdv Under Anaerobic Conditions:
1.21.3.1;

The structure of Isopenicillin N Synthase in Complex with Fe and Acdv Under Anaerobic Conditions, PDB code: 8py6 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)	22.58 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.552, 75.593, 101.689, 90, 90, 90
R / Rfree (%)	15.6 / 17.2

The binding sites of Iron atom in the Isopenicillin N Synthase in Complex with Fe and Acdv Under Anaerobic Conditions (pdb code 8py6). 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 Isopenicillin N Synthase in Complex with Fe and Acdv Under Anaerobic Conditions, PDB code: 8py6:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase in Complex with Fe and Acdv Under Anaerobic Conditions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Isopenicillin N Synthase in Complex with Fe and Acdv Under Anaerobic Conditions within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:18.4 occ:1.00 OD1 A:ASP216 2.0 18.9 1.0 O A:HOH652 2.1 24.8 1.0 NE2 A:HIS214 2.1 15.8 1.0 NE2 A:HIS270 2.2 15.4 1.0 S17 A:ACV404 2.3 19.2 1.0 CG A:ASP216 3.0 17.8 1.0 CD2 A:HIS214 3.0 16.2 1.0 CE1 A:HIS270 3.1 16.2 1.0 HD2 A:HIS214 3.1 19.5 1.0 HE1 A:HIS270 3.2 19.4 1.0 CE1 A:HIS214 3.2 18.6 1.0 CD2 A:HIS270 3.3 17.0 1.0 OD2 A:ASP216 3.3 17.5 1.0 C16 A:ACV404 3.4 17.9 1.0 HE1 A:HIS214 3.4 22.3 1.0 HD2 A:HIS270 3.5 20.4 1.0 C33 A:ACV404 3.9 27.3 1.0 HA A:ASP216 4.1 18.2 1.0 O A:HOH629 4.2 23.6 1.0 ND1 A:HIS270 4.2 17.4 1.0 CG A:HIS214 4.2 15.2 1.0 ND1 A:HIS214 4.2 16.4 1.0 C37 A:ACV404 4.3 29.6 1.0 CB A:ASP216 4.3 17.1 1.0 CG A:HIS270 4.3 14.9 1.0 HE1 A:PHE285 4.4 22.0 1.0 CA A:ASP216 4.6 15.1 1.0 C32 A:ACV404 4.7 25.5 1.0 HG21 A:THR221 4.7 18.9 1.0 C12 A:ACV404 4.7 16.1 1.0 O A:HOH584 4.7 21.6 1.0 HB3 A:ASP216 4.8 20.6 1.0 N29 A:ACV404 4.9 19.6 1.0 N A:ASP216 4.9 16.2 1.0 HB2 A:ASP216 4.9 20.6 1.0 HG1 A:THR221 4.9 19.8 1.0 HD1 A:HIS270 5.0 20.8 1.0 C13 A:ACV404 5.0 20.2 1.0

P.Rabe, C.J.Schofield. Isopenicillin N Synthase in Complex with Fe and Acdv Under Anaerobic Conditions To Be Published.