Iron in PDB 2y60: Isopenicillin N Synthase with Ac-D-Methionine

All present enzymatic activity of Isopenicillin N Synthase with Ac-D-Methionine:
1.21.3.1;

The structure of Isopenicillin N Synthase with Ac-D-Methionine, PDB code: 2y60 was solved by P.J.Rutledge, I.J.Clifton, W.Ge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.45 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.523, 70.882, 100.923, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 19.9

The binding sites of Iron atom in the Isopenicillin N Synthase with Ac-D-Methionine (pdb code 2y60). 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 with Ac-D-Methionine, PDB code: 2y60:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase with Ac-D-Methionine


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 with Ac-D-Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1333 b:9.2 occ:1.00 OD1 A:ASP216 2.1 12.0 1.0 O A:HOH2281 2.2 13.2 1.0 NE2 A:HIS270 2.2 9.0 1.0 NE2 A:HIS214 2.2 8.5 1.0 S13 A:M8F1332 2.4 12.6 1.0 S20 A:M8F1332 2.6 15.2 1.0 CG A:ASP216 3.1 9.3 1.0 CD2 A:HIS214 3.1 8.8 1.0 CE1 A:HIS270 3.1 9.5 1.0 CD2 A:HIS270 3.2 7.9 1.0 CE1 A:HIS214 3.2 10.0 1.0 C12 A:M8F1332 3.4 11.1 1.0 C19 A:M8F1332 3.4 15.1 1.0 OD2 A:ASP216 3.4 11.0 1.0 C21 A:M8F1332 3.7 16.6 1.0 ND1 A:HIS270 4.3 8.1 1.0 CG A:HIS214 4.3 7.3 1.0 ND1 A:HIS214 4.3 8.0 1.0 CG A:HIS270 4.3 9.0 1.0 O A:HOH2317 4.3 9.8 1.0 CB A:ASP216 4.4 8.7 1.0 N16 A:M8F1332 4.7 14.3 1.0 CA A:ASP216 4.7 7.8 1.0 C11 A:M8F1332 4.7 11.5 1.0 C18 A:M8F1332 4.8 15.7 1.0 O A:HOH2282 4.9 10.8 1.0 C14 A:M8F1332 4.9 11.7 1.0 N A:ASP216 4.9 9.6 1.0

I.J.Clifton, W.Ge, R.M.Adlington, J.E.Baldwin, P.J.Rutledge. The Crystal Structure of Isopenicillin N Synthase with Delta((L)-Alpha-Aminoadipoyl)-(L)-Cysteinyl-(D)-Methionine Reveals Thioether Coordination to Iron. Arch.Biochem.Biophys. V. 516 103 2011.
ISSN: ISSN 0003-9861
PubMed: 22001738
DOI: 10.1016/J.ABB.2011.09.014