Iron in PDB 1uof: Deacetoxycephalosporin C Synthase Complexed with Penicillin G

All present enzymatic activity of Deacetoxycephalosporin C Synthase Complexed with Penicillin G:
1.14.20.1;

The structure of Deacetoxycephalosporin C Synthase Complexed with Penicillin G, PDB code: 1uof was solved by K.Valegard, A.C.Terwisscha Van Scheltinga, A.Dubus, L.M.Oster, G.Rhangino, J.Hajdu, I.Andersson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.8 / 1.6
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	106.500, 106.500, 72.100, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 23.1

The binding sites of Iron atom in the Deacetoxycephalosporin C Synthase Complexed with Penicillin G (pdb code 1uof). 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 Deacetoxycephalosporin C Synthase Complexed with Penicillin G, PDB code: 1uof:

Iron binding site 1 out of 1 in the Deacetoxycephalosporin C Synthase Complexed with Penicillin G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Deacetoxycephalosporin C Synthase Complexed with Penicillin G within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1311 b:24.4 occ:1.00 O12 A:PNN1312 1.9 31.6 1.0 OD1 A:ASP185 2.1 19.3 1.0 NE2 A:HIS243 2.1 24.5 1.0 NE2 A:HIS183 2.2 20.8 1.0 O13 A:PNN1312 2.2 32.1 1.0 C11 A:PNN1312 2.2 39.7 1.0 CE1 A:HIS243 3.1 16.9 1.0 CG A:ASP185 3.1 19.1 1.0 CE1 A:HIS183 3.1 33.9 1.0 CD2 A:HIS183 3.2 18.7 1.0 CD2 A:HIS243 3.2 23.3 1.0 OD2 A:ASP185 3.3 21.4 1.0 C10 A:PNN1312 3.4 33.1 1.0 C3 A:PNN1312 3.7 35.8 1.0 C2 A:PNN1312 4.2 36.2 1.0 ND1 A:HIS183 4.2 27.8 1.0 ND1 A:HIS243 4.2 22.7 1.0 CG2 A:ILE305 4.2 21.5 1.0 CG A:HIS183 4.3 20.6 1.0 CG A:HIS243 4.3 22.6 1.0 CB A:ASP185 4.5 15.5 1.0 N4 A:PNN1312 4.7 33.3 1.0 CD2 A:PHE225 4.8 18.3 1.0 N A:ASP185 4.9 17.5 1.0 CA A:ASP185 4.9 16.3 1.0 CE2 A:PHE264 4.9 22.1 1.0 CE2 A:PHE225 4.9 21.5 1.0

K.Valegard, A.C.Terwisscha Van Scheltinga, A.Dubus, G.Ranghino, L.M.Oster, J.Hajdu, I.Andersson. The Structural Basis of Cephalosporin Formation in A Mononuclear Ferrous Enzyme Nat.Struct.Mol.Biol. V. 11 95 2004.
ISSN: ISSN 1545-9993
PubMed: 14718929
DOI: 10.1038/NSMB712