Iron in PDB 1w04: Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe-No Complex

All present enzymatic activity of Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe-No Complex:
1.21.3.1;

The structure of Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe-No Complex, PDB code: 1w04 was solved by A.J.Long, I.J.Clifton, P.J.Rutledge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.74 / 1.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.652, 70.752, 100.973, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 17.5

The binding sites of Iron atom in the Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe-No Complex (pdb code 1w04). 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-Glycine-Fe-No Complex, PDB code: 1w04:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-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-Glycine-Fe-No Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1333 b:10.7 occ:1.00 N A:HOA1334 1.7 12.9 1.0 O A:HOH2230 2.1 13.0 1.0 OD1 A:ASP216 2.1 7.5 1.0 NE2 A:HIS270 2.2 6.5 1.0 NE2 A:HIS214 2.2 7.3 1.0 S17 A:HCG1332 2.4 6.7 1.0 O A:HOA1334 2.8 16.6 1.0 CE1 A:HIS214 3.1 7.1 1.0 CG A:ASP216 3.1 8.0 1.0 CE1 A:HIS270 3.2 6.2 1.0 CD2 A:HIS270 3.2 6.5 1.0 CD2 A:HIS214 3.2 6.7 1.0 C16 A:HCG1332 3.4 7.5 1.0 OD2 A:ASP216 3.4 8.0 1.0 O A:HOH2319 4.0 21.2 1.0 O A:HOH2261 4.3 16.0 1.0 ND1 A:HIS214 4.3 7.2 1.0 ND1 A:HIS270 4.3 6.2 1.0 CG A:HIS270 4.3 6.4 1.0 CG A:HIS214 4.3 6.5 1.0 CB A:ASP216 4.5 7.5 1.0 C12 A:HCG1332 4.8 6.3 1.0 CA A:ASP216 4.8 7.2 1.0 C13 A:HCG1332 4.8 6.1 1.0 N29 A:HCG1332 4.9 10.3 1.0 O A:HOH2232 4.9 14.2 1.0 N A:ASP216 5.0 6.2 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 Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine Biochemistry V. 44 6619 2005.
ISSN: ISSN 0006-2960
PubMed: 15850395
DOI: 10.1021/BI047478Q