Iron in PDB 7p3l: Isopenicillin N Synthase in Complex with Fe and the Substrate Analogue Aadcyshomocys

All present enzymatic activity of Isopenicillin N Synthase in Complex with Fe and the Substrate Analogue Aadcyshomocys:
1.21.3.1;

The structure of Isopenicillin N Synthase in Complex with Fe and the Substrate Analogue Aadcyshomocys, PDB code: 7p3l was solved by P.Rabe, I.Clifton, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.33 / 1.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.98, 71.42, 101.08, 90, 90, 90
R / Rfree (%)	15.1 / 17.3

The binding sites of Iron atom in the Isopenicillin N Synthase in Complex with Fe and the Substrate Analogue Aadcyshomocys (pdb code 7p3l). 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 the Substrate Analogue Aadcyshomocys, PDB code: 7p3l:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase in Complex with Fe and the Substrate Analogue Aadcyshomocys


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 the Substrate Analogue Aadcyshomocys within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:11.7 occ:1.00 O A:HOH574 2.1 14.7 1.0 NE2 A:HIS214 2.2 13.0 1.0 NE2 A:HIS270 2.2 11.7 1.0 OD1 A:ASP216 2.2 12.3 1.0 SG A:CYS408 2.4 12.8 1.0 SD A:KCY409 2.5 13.4 1.0 CE1 A:HIS214 3.2 11.7 1.0 CE1 A:HIS270 3.2 13.5 1.0 HB2 A:CYS408 3.2 14.8 1.0 CG A:ASP216 3.2 11.8 1.0 CD2 A:HIS214 3.2 11.2 1.0 CD2 A:HIS270 3.2 11.6 1.0 HE1 A:HIS214 3.3 14.0 1.0 HE1 A:HIS270 3.3 16.2 1.0 HD2 A:HIS214 3.4 13.4 1.0 HD2 A:HIS270 3.4 13.9 1.0 CB A:CYS408 3.4 12.3 1.0 OD2 A:ASP216 3.6 12.9 1.0 HGA A:KCY409 3.6 17.2 1.0 CG A:KCY409 3.6 14.4 1.0 HBA A:KCY409 3.7 16.8 1.0 HN A:KCY409 3.9 15.6 1.0 HB3 A:CYS408 3.9 14.8 1.0 CB A:KCY409 4.2 14.0 1.0 O A:HOH792 4.3 15.4 1.0 ND1 A:HIS270 4.3 12.5 1.0 HA A:ASP216 4.3 12.3 1.0 ND1 A:HIS214 4.3 11.8 1.0 N A:KCY409 4.3 13.0 1.0 CG A:HIS270 4.4 12.2 1.0 CG A:HIS214 4.4 11.5 1.0 CB A:ASP216 4.5 10.8 1.0 HG A:KCY409 4.5 17.2 1.0 CA A:CYS408 4.7 12.3 1.0 C A:CYS408 4.8 12.6 1.0 CA A:ASP216 4.8 10.3 1.0 HG21 A:THR221 4.9 14.3 1.0 CA A:KCY409 4.9 12.2 1.0 HE2 A:PHE211 4.9 17.3 1.0 HB3 A:ASP216 5.0 12.9 1.0 HD21 A:ASN252 5.0 17.7 1.0 N A:ASP216 5.0 12.5 1.0

P.Rabe, I.Clifton, C.J.Schofield. Isopenicillin N Synthase in Complex with Fe and the Substrate Analogue Aadcyshomocys To Be Published.