Iron in PDB 2xbk: X-Ray Structure of the Substrate-Bound Cytochrome P450 Pimd - A Polyene Macrolide Antibiotic Pimaricin Epoxidase

The structure of X-Ray Structure of the Substrate-Bound Cytochrome P450 Pimd - A Polyene Macrolide Antibiotic Pimaricin Epoxidase, PDB code: 2xbk was solved by P.M.Kells, H.Ouellet, J.Santos-Aberturas, J.F.Aparicio, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.88 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.920, 99.690, 58.505, 90.00, 111.92, 90.00
R / Rfree (%)	15 / 21.4

The binding sites of Iron atom in the X-Ray Structure of the Substrate-Bound Cytochrome P450 Pimd - A Polyene Macrolide Antibiotic Pimaricin Epoxidase (pdb code 2xbk). 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 X-Ray Structure of the Substrate-Bound Cytochrome P450 Pimd - A Polyene Macrolide Antibiotic Pimaricin Epoxidase, PDB code: 2xbk:

Iron binding site 1 out of 1 in the X-Ray Structure of the Substrate-Bound Cytochrome P450 Pimd - A Polyene Macrolide Antibiotic Pimaricin Epoxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of the Substrate-Bound Cytochrome P450 Pimd - A Polyene Macrolide Antibiotic Pimaricin Epoxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1398 b:19.1 occ:1.00 FE A:HEM1398 0.0 19.1 1.0 NC A:HEM1398 2.0 17.2 1.0 NA A:HEM1398 2.0 15.9 1.0 NB A:HEM1398 2.1 16.2 1.0 ND A:HEM1398 2.1 16.4 1.0 SG A:CYS346 2.4 17.9 1.0 C1C A:HEM1398 3.0 18.1 1.0 C1A A:HEM1398 3.1 15.4 1.0 C4A A:HEM1398 3.1 14.3 1.0 C4B A:HEM1398 3.1 14.5 1.0 C4C A:HEM1398 3.1 16.4 1.0 C4D A:HEM1398 3.1 17.5 1.0 C1B A:HEM1398 3.1 15.0 1.0 C1D A:HEM1398 3.1 16.2 1.0 O A:HOH2168 3.3 26.1 1.0 CB A:CYS346 3.3 15.5 1.0 CHC A:HEM1398 3.4 14.8 1.0 CHB A:HEM1398 3.4 14.1 1.0 CHA A:HEM1398 3.5 16.6 1.0 CHD A:HEM1398 3.5 14.3 1.0 CA A:CYS346 3.9 18.1 1.0 C3C A:HEM1398 4.2 17.7 1.0 C2A A:HEM1398 4.3 15.2 1.0 C3A A:HEM1398 4.3 15.0 1.0 C2C A:HEM1398 4.3 16.7 1.0 C3B A:HEM1398 4.3 13.9 1.0 C2B A:HEM1398 4.3 14.8 1.0 C3D A:HEM1398 4.3 17.9 1.0 C2D A:HEM1398 4.4 19.0 1.0 O A:ALA234 4.5 20.3 1.0 C A:CYS346 4.6 18.6 1.0 N A:GLY348 4.7 17.6 1.0 C27 A:XBK1399 4.7 21.3 1.0 N A:ILE347 4.7 18.4 1.0 CB A:ALA234 4.8 17.4 1.0

P.M.Kells, H.Ouellet, J.Santos-Aberturas, J.F.Aparicio, L.M.Podust. Structure of Cytochrome P450 Pimd Suggests Epoxidation of the Polyene Macrolide Pimaricin Occurs Via A Hydroperoxoferric Intermediate. Chem.Biol. V. 17 841 2010.
ISSN: ISSN 1074-5521
PubMed: 20797613
DOI: 10.1016/J.CHEMBIOL.2010.05.026