Iron in PDB 1hb3: Isopenicillin N Synthase From Aspergillus Nidulans (Oxygen Exposed Product From Anaerobic Acov Fe Complex)

The structure of Isopenicillin N Synthase From Aspergillus Nidulans (Oxygen Exposed Product From Anaerobic Acov Fe Complex), PDB code: 1hb3 was solved by J.M.Ogle, I.J.Clifton, P.J.Rutledge, J.M.Elkins, N.I.Burzlaff, 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)	23.25 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.500, 71.070, 100.910, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.2

The binding sites of Iron atom in the Isopenicillin N Synthase From Aspergillus Nidulans (Oxygen Exposed Product From Anaerobic Acov Fe Complex) (pdb code 1hb3). 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 Acov Fe Complex), PDB code: 1hb3:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase From Aspergillus Nidulans (Oxygen Exposed Product From Anaerobic Acov 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 Acov Fe Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1334 b:9.9 occ:1.00 OD1 A:ASP216 2.2 10.3 1.0 O A:HOH2289 2.2 13.0 1.0 NE2 A:HIS270 2.2 9.4 1.0 NE2 A:HIS214 2.2 9.6 1.0 O A:HOH2386 2.3 14.9 1.0 S A:SCV1332 2.4 17.3 1.0 CE1 A:HIS270 3.1 8.3 1.0 CG A:ASP216 3.2 9.2 1.0 CE1 A:HIS214 3.2 9.9 1.0 CD2 A:HIS214 3.2 9.5 1.0 CD2 A:HIS270 3.2 8.9 1.0 C9 A:SCV1332 3.3 19.9 1.0 O8 A:SCV1332 3.4 21.4 1.0 OD2 A:ASP216 3.4 8.7 1.0 C14 A:SCV1332 4.1 20.4 1.0 ND1 A:HIS270 4.2 8.8 1.0 ND1 A:HIS214 4.3 10.1 1.0 CG A:HIS270 4.3 8.8 1.0 O A:HOH2322 4.3 18.7 1.0 CG A:HIS214 4.3 9.5 1.0 CB A:ASP216 4.5 9.4 1.0 C7 A:SCV1332 4.7 19.9 1.0 C13 A:SCV1332 4.8 22.8 1.0 CA A:ASP216 4.8 9.4 1.0 O5 A:SCV1332 4.8 21.5 1.0 N A:ASP216 4.9 9.9 1.0

J.M.Ogle, I.J.Clifton, P.J.Rutledge, J.M.Elkins, N.I.Burzlaff, R.M Adlington, P.L.Roach, J.E.Baldwin. Alternative Oxidation By Isopenicillin N Synthase Observed By X-Ray Diffraction. Chem.Biol. V. 8 1231 2001.
ISSN: ISSN 1074-5521
PubMed: 11755401
DOI: 10.1016/S1074-5521(01)00090-4