Iron in PDB 1qje: Isopenicillin N Synthase From Aspergillus Nidulans (IP1 - Fe Complex)

The structure of Isopenicillin N Synthase From Aspergillus Nidulans (IP1 - Fe Complex), PDB code: 1qje was solved by N.I.Burzlaff, I.J.Clifton, P.J.Rutledge, P.L.Roach, R.M.Adlington, J.E.Baldwin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.670, 71.910, 101.730, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 18.7

The binding sites of Iron atom in the Isopenicillin N Synthase From Aspergillus Nidulans (IP1 - Fe Complex) (pdb code 1qje). 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 (IP1 - Fe Complex), PDB code: 1qje:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase From Aspergillus Nidulans (IP1 - 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 (IP1 - Fe Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1335 b:24.2 occ:1.00 NE2 A:HIS214 2.0 14.1 1.0 OD1 A:ASP216 2.1 13.7 1.0 S17 A:ACV1334 2.2 17.8 0.3 O A:HOH2358 2.2 24.7 1.0 NE2 A:HIS270 2.2 13.5 1.0 C37 A:ACV1334 2.5 15.6 0.3 S17 A:IP11333 2.9 23.5 0.7 CD2 A:HIS214 3.0 13.2 1.0 CE1 A:HIS214 3.1 13.8 1.0 CG A:ASP216 3.1 11.5 1.0 CE1 A:HIS270 3.1 13.3 1.0 CD2 A:HIS270 3.2 13.9 1.0 C16 A:ACV1334 3.3 19.7 0.3 OD2 A:ASP216 3.5 12.3 1.0 C32 A:ACV1334 3.5 18.1 0.3 C37 A:IP11333 3.7 18.4 0.7 C33 A:ACV1334 3.8 17.2 0.3 C16 A:IP11333 3.8 20.0 0.7 C32 A:IP11333 3.8 18.5 0.7 O A:HOH2401 4.1 31.1 1.0 CG A:HIS214 4.2 12.6 1.0 ND1 A:HIS214 4.2 12.3 1.0 N29 A:ACV1334 4.2 19.9 0.3 ND1 A:HIS270 4.2 10.9 1.0 CG A:HIS270 4.3 12.1 1.0 C13 A:ACV1334 4.4 20.0 0.3 CB A:ASP216 4.5 11.1 1.0 C30 A:ACV1334 4.5 18.1 0.3 C33 A:IP11333 4.5 20.1 0.7 C12 A:ACV1334 4.6 19.4 0.3 O A:HOH2360 4.7 35.9 1.0 CA A:ASP216 4.7 11.3 1.0 N A:ASP216 4.8 10.8 1.0 N29 A:IP11333 4.9 20.4 0.7 C12 A:IP11333 4.9 20.4 0.7

N.I.Burzlaff, P.J.Rutledge, I.J.Clifton, C.M.H.Hensgens, M.Pickford, R.M.Adlington, P.L.Roach, J.E.Baldwin. The Reaction Cycle of Isopenicillin N Synthase Observed By X-Ray Diffraction Nature V. 401 721 1999.
ISSN: ISSN 0028-0836
PubMed: 10537113
DOI: 10.1038/44400