Iron in PDB 1rxg: Deacetoxycephalosporin C Synthase Complexed with Fe(II) and 2- Oxoglutarate

The structure of Deacetoxycephalosporin C Synthase Complexed with Fe(II) and 2- Oxoglutarate, PDB code: 1rxg was solved by K.Valegard, A.C.Terwisscha Van Scheltinga, M.D.Lloyd, T.Hara, S.Ramaswamy, A.Perrakis, A.Thompson, H.J.Lee, J.E.Baldwin, C.J.Shofield, J.Hajdu, I.Andersson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.50
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	107.700, 107.700, 71.000, 90.00, 90.00, 120.00
R / Rfree (%)	12.5 / 15.6

The binding sites of Iron atom in the Deacetoxycephalosporin C Synthase Complexed with Fe(II) and 2- Oxoglutarate (pdb code 1rxg). 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 Fe(II) and 2- Oxoglutarate, PDB code: 1rxg:

Iron binding site 1 out of 1 in the Deacetoxycephalosporin C Synthase Complexed with Fe(II) and 2- Oxoglutarate


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 Fe(II) and 2- Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe312 b:11.1 occ:1.00 OD1 A:ASP185 2.1 13.5 1.0 O2 A:AKG313 2.1 18.2 1.0 NE2 A:HIS243 2.2 10.9 1.0 NE2 A:HIS183 2.2 11.1 1.0 O A:HOH517 2.2 24.9 1.0 O5 A:AKG313 2.2 17.8 1.0 C1 A:AKG313 3.0 20.2 1.0 C2 A:AKG313 3.0 20.3 1.0 CG A:ASP185 3.0 12.0 1.0 CD2 A:HIS183 3.1 12.0 1.0 CE1 A:HIS243 3.1 12.7 1.0 CD2 A:HIS243 3.1 11.1 1.0 OD2 A:ASP185 3.2 13.9 1.0 CE1 A:HIS183 3.2 12.3 1.0 O1 A:AKG313 4.2 20.9 1.0 ND1 A:HIS243 4.2 12.3 1.0 CG A:HIS243 4.3 11.7 1.0 CG A:HIS183 4.3 11.5 1.0 CG2 A:ILE305 4.3 15.5 1.0 ND1 A:HIS183 4.3 13.2 1.0 CB A:ASP185 4.4 10.3 1.0 C3 A:AKG313 4.5 22.1 1.0 CE A:MET180 4.9 38.7 1.0 N A:ASP185 4.9 10.9 1.0 CE1 A:PHE264 4.9 14.7 1.0 CA A:ASP185 5.0 9.2 1.0

K.Valegard, A.C.Van Scheltinga, M.D.Lloyd, T.Hara, S.Ramaswamy, A.Perrakis, A.Thompson, H.J.Lee, J.E.Baldwin, C.J.Schofield, J.Hajdu, I.Andersson. Structure of A Cephalosporin Synthase. Nature V. 394 805 1998.
ISSN: ISSN 0028-0836
PubMed: 9723623
DOI: 10.1038/29575