Iron in PDB 1w05: Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-Fe Complex

All present enzymatic activity of Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-Fe Complex:
1.21.3.1;

The structure of Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-Fe Complex, PDB code: 1w05 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)	87.71 / 2.46
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.770, 101.770, 115.680, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 21.4

The binding sites of Iron atom in the Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-Fe Complex (pdb code 1w05). 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-Alanine-Fe Complex, PDB code: 1w05:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-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 Aminoadipoyl-Cysteinyl-Alanine-Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1333 b:35.1 occ:1.00 O A:HOH2226 2.2 29.6 1.0 NE2 A:HIS214 2.2 28.8 1.0 OD1 A:ASP216 2.2 30.1 1.0 O A:HOH2317 2.3 24.9 1.0 NE2 A:HIS270 2.4 29.7 1.0 S17 A:W051332 2.4 37.5 1.0 CE1 A:HIS214 3.0 30.3 1.0 CE1 A:HIS270 3.2 30.5 1.0 CG A:ASP216 3.2 26.6 1.0 CD2 A:HIS214 3.3 27.1 1.0 CD2 A:HIS270 3.4 27.5 1.0 C16 A:W051332 3.4 37.5 1.0 OD2 A:ASP216 3.5 30.6 1.0 O A:HOH2090 4.0 45.3 1.0 ND1 A:HIS214 4.2 27.5 1.0 ND1 A:HIS270 4.3 25.3 1.0 N29 A:W051332 4.3 40.4 1.0 CG A:HIS214 4.4 25.8 1.0 CG A:HIS270 4.4 26.2 1.0 O A:HOH2252 4.4 33.1 1.0 CB A:ASP216 4.5 28.1 1.0 C32 A:W051332 4.6 45.4 1.0 C12 A:W051332 4.7 36.0 1.0 CA A:ASP216 4.7 26.9 1.0 O42 A:W051332 4.9 43.0 1.0 O A:HOH2228 4.9 32.8 1.0 N A:ASP216 4.9 25.5 1.0 C30 A:W051332 4.9 43.0 1.0 C13 A:W051332 5.0 39.7 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