Iron in PDB 2vcm: Isopenicillin N Synthase with Substrate Analogue Asmcov

All present enzymatic activity of Isopenicillin N Synthase with Substrate Analogue Asmcov:
1.21.3.1;

The structure of Isopenicillin N Synthase with Substrate Analogue Asmcov, PDB code: 2vcm was solved by W.Ge, I.J.Clifton, R.M.Adlington, J.E.Baldwin, P.J.Rutledge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.52 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.576, 75.353, 101.511, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 20.3

The binding sites of Iron atom in the Isopenicillin N Synthase with Substrate Analogue Asmcov (pdb code 2vcm). 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 with Substrate Analogue Asmcov, PDB code: 2vcm:

Iron binding site 1 out of 1 in the Isopenicillin N Synthase with Substrate Analogue Asmcov


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 with Substrate Analogue Asmcov within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1332 b:12.2 occ:1.00 OD1 A:ASP216 2.0 16.2 1.0 NE2 A:HIS270 2.2 9.2 1.0 NE2 A:HIS214 2.2 12.0 1.0 O A:HOH2188 2.2 11.6 1.0 S17 A:M111333 2.4 22.4 1.0 C37 A:M111333 2.5 14.2 1.0 CG A:ASP216 3.0 11.1 1.0 CE1 A:HIS270 3.1 11.2 1.0 CD2 A:HIS214 3.1 13.4 1.0 CD2 A:HIS270 3.2 13.5 1.0 CE1 A:HIS214 3.2 12.7 1.0 OD2 A:ASP216 3.3 11.1 1.0 C32 A:M111333 3.5 31.7 1.0 CAV A:M111333 3.8 32.8 1.0 C25 A:M111333 4.1 35.1 1.0 O A:HOH2219 4.2 22.4 1.0 ND1 A:HIS270 4.2 9.4 1.0 CG A:HIS270 4.3 9.5 1.0 CG A:HIS214 4.3 10.9 1.0 ND1 A:HIS214 4.3 10.6 1.0 CB A:ASP216 4.4 12.0 1.0 C33 A:M111333 4.4 32.5 1.0 O29 A:M111333 4.4 31.3 1.0 C30 A:M111333 4.6 30.0 1.0 CA A:ASP216 4.7 10.8 1.0 C13 A:M111333 4.7 30.5 1.0 C12 A:M111333 4.8 28.7 1.0 O A:HOH2189 4.8 19.9 1.0 N A:ASP216 5.0 12.3 1.0

W.Ge, I.J.Clifton, A.R.Howard-Jones, J.E.Stok, R.M.Adlington, J.E.Baldwin, P.J.Rutledge. Structural Studies on the Reaction of Isopenicillin N Synthase with A Sterically Demanding Depsipeptide Substrate Analogue. Chembiochem V. 10 2025 2009.
ISSN: ISSN 1439-4227
PubMed: 19598184
DOI: 10.1002/CBIC.200900080