Iron in PDB 1odn: Isopenicillin N Synthase From Aspergillus Nidulans (Oxygen-Exposed Product From Anaerobic Ac-Vinylglycine Fe Complex)

The structure of Isopenicillin N Synthase From Aspergillus Nidulans (Oxygen-Exposed Product From Anaerobic Ac-Vinylglycine Fe Complex), PDB code: 1odn was solved by J.M.Elkins, P.J.Rutledge, N.I.Burzlaff, I.J.Clifton, R.M.Adlington, P.L.Roach, J.E.Baldwin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.742, 70.966, 101.010, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 17.8

The binding sites of Iron atom in the Isopenicillin N Synthase From Aspergillus Nidulans (Oxygen-Exposed Product From Anaerobic Ac-Vinylglycine Fe Complex) (pdb code 1odn). 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 From Aspergillus Nidulans (Oxygen-Exposed Product From Anaerobic Ac-Vinylglycine Fe Complex), PDB code: 1odn:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase From Aspergillus Nidulans (Oxygen-Exposed Product From Anaerobic Ac-Vinylglycine Fe Complex)


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 From Aspergillus Nidulans (Oxygen-Exposed Product From Anaerobic Ac-Vinylglycine Fe Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1326 b:20.3 occ:1.00 NE2 A:HIS214 2.0 13.1 1.0 NE2 A:HIS270 2.1 16.2 1.0 OD1 A:ASP216 2.2 13.2 1.0 O A:HOH2389 2.2 33.1 1.0 O32 A:APV1324 2.3 32.7 1.0 CD2 A:HIS270 2.9 14.2 1.0 CE1 A:HIS214 3.0 15.7 1.0 CD2 A:HIS214 3.0 13.3 1.0 S17 A:APV1324 3.1 50.4 1.0 CG A:ASP216 3.2 11.5 1.0 CE1 A:HIS270 3.2 14.5 1.0 OD2 A:ASP216 3.4 11.5 1.0 C33 A:APV1324 3.5 39.4 1.0 C16 A:APV1324 3.7 46.7 1.0 O A:HOH2337 3.8 22.7 1.0 C32 A:APV1324 4.0 43.1 1.0 ND1 A:HIS214 4.1 14.2 1.0 CG A:HIS270 4.1 9.8 1.0 CG A:HIS214 4.1 11.3 1.0 ND1 A:HIS270 4.2 10.3 1.0 CB A:ASP216 4.5 9.4 1.0 CA A:ASP216 4.8 9.3 1.0 N29 A:APV1324 4.9 43.9 1.0 C12 A:APV1324 4.9 45.8 1.0 N A:ASP216 4.9 9.9 1.0

J.M.Elkins, P.J.Rutledge, N.I.Burzlaff, I.J.Clifton, R.M.Adlington, P.L.Roach, J.E.Baldwin. Crystallographic Studies on the Reaction of Isopenicillin N Synthase with An Unsaturated Substrate Analogue Org.Biomol.Chem. V. 1 1455 2003.
ISSN: ISSN 1477-0520
PubMed: 12926272
DOI: 10.1039/B212270G