Iron in PDB 2y6f: Isopenicillin N Synthase with Ac-D-S-Methyl-3R-Methylcysteine

All present enzymatic activity of Isopenicillin N Synthase with Ac-D-S-Methyl-3R-Methylcysteine:
1.21.3.1;

The structure of Isopenicillin N Synthase with Ac-D-S-Methyl-3R-Methylcysteine, PDB code: 2y6f 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)	11.97 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.396, 73.349, 102.476, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 22

The binding sites of Iron atom in the Isopenicillin N Synthase with Ac-D-S-Methyl-3R-Methylcysteine (pdb code 2y6f). 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-S-Methyl-3R-Methylcysteine, PDB code: 2y6f:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase with Ac-D-S-Methyl-3R-Methylcysteine


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-S-Methyl-3R-Methylcysteine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1333 b:11.9 occ:1.00 OD1 A:ASP216 2.1 12.6 1.0 O A:HOH2214 2.2 9.6 1.0 NE2 A:HIS214 2.3 11.9 1.0 NE2 A:HIS270 2.4 16.5 1.0 SAF A:M9F1332 2.5 13.9 1.0 SAM A:M9F1332 2.7 13.2 1.0 CG A:ASP216 3.1 14.2 1.0 CE1 A:HIS270 3.2 15.8 1.0 CD2 A:HIS214 3.2 12.8 1.0 CE1 A:HIS214 3.2 14.5 1.0 CD2 A:HIS270 3.4 15.9 1.0 OD2 A:ASP216 3.5 14.6 1.0 CAE A:M9F1332 3.6 11.8 1.0 CAN A:M9F1332 3.8 16.6 1.0 CAK A:M9F1332 4.0 17.1 1.0 ND1 A:HIS270 4.4 17.4 1.0 ND1 A:HIS214 4.4 13.8 1.0 CG A:HIS214 4.4 14.4 1.0 O A:HOH2245 4.4 6.1 1.0 CG A:HIS270 4.5 13.6 1.0 CB A:ASP216 4.5 15.7 1.0 CAO A:M9F1332 4.6 15.3 1.0 NAI A:M9F1332 4.8 11.3 1.0 CA A:ASP216 4.8 14.8 1.0 CAJ A:M9F1332 4.9 14.4 1.0 CAG A:M9F1332 4.9 13.7 1.0 CAD A:M9F1332 4.9 11.5 1.0

I.J.Clifton, W.Ge, R.M.Adlington, J.E.Baldwin, P.J.Rutledge. Isopenicillin N Synthase Binds Delta-(L-Alpha-Aminoadipoyl) -L-Cysteinyl-D-Thia-Allo-Isoleucine Through Both Sulfur Atoms. Chembiochem V. 12 1881 2011.
ISSN: ISSN 1439-4227
PubMed: 21678539
DOI: 10.1002/CBIC.201100149