Iron in PDB 1obn: Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Aminobutyrate-Fe-No Complex

The structure of Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Aminobutyrate-Fe-No Complex, PDB code: 1obn was solved by A.J.Long, I.J.Clifton, P.L.Roach, J.E.Baldwin, C.J.Schofield, P.J.Rutledge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.72 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.750, 71.350, 101.200, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 18.9

The binding sites of Iron atom in the Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Aminobutyrate-Fe-No Complex (pdb code 1obn). 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 Aminoadipoyl-Cysteinyl-Aminobutyrate-Fe-No Complex, PDB code: 1obn:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Aminobutyrate-Fe-No 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 Aminoadipoyl-Cysteinyl-Aminobutyrate-Fe-No Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1333 b:11.9 occ:1.00 N A:HOA1334 1.9 22.9 1.0 O A:HOH2182 2.1 20.1 1.0 OD1 A:ASP216 2.1 7.2 1.0 NE2 A:HIS270 2.2 7.2 1.0 NE2 A:HIS214 2.2 8.0 1.0 S17 A:ASV1332 2.4 19.7 1.0 O A:HOA1334 2.6 24.5 1.0 CE1 A:HIS270 3.1 6.5 1.0 CG A:ASP216 3.1 7.4 1.0 CE1 A:HIS214 3.1 7.2 1.0 CD2 A:HIS270 3.2 6.5 1.0 CD2 A:HIS214 3.2 6.5 1.0 OD2 A:ASP216 3.4 7.3 1.0 C16 A:ASV1332 3.5 21.0 1.0 C33 A:ASV1332 4.1 19.6 1.0 ND1 A:HIS270 4.2 6.6 1.0 ND1 A:HIS214 4.3 7.7 1.0 CG A:HIS270 4.3 6.3 1.0 O A:HOH2212 4.3 21.9 1.0 CG A:HIS214 4.3 6.5 1.0 CB A:ASP216 4.5 8.1 1.0 N29 A:ASV1332 4.5 21.9 1.0 C32 A:ASV1332 4.6 21.7 1.0 C12 A:ASV1332 4.7 21.8 1.0 CA A:ASP216 4.8 6.6 1.0 C13 A:ASV1332 4.9 17.4 1.0 N A:ASP216 4.9 7.4 1.0

A.J.Long, I.J.Clifton, P.L.Roach, J.E.Baldwin, C.J.Schofield, P.J.Rutledge. Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl) -L-Cysteinyl-D-Alpha-Aminobutyrate. Biochem.J. V. 372 687 2003.
ISSN: ISSN 0264-6021
PubMed: 12622704
DOI: 10.1042/BJ20021627