Iron in PDB 4xe3: Olep, the Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis: Functional Analysis and Crystallographic Structure in Complex with Clotrimazole.

The structure of Olep, the Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis: Functional Analysis and Crystallographic Structure in Complex with Clotrimazole., PDB code: 4xe3 was solved by L.C.Montemiglio, G.Parisi, A.Scaglione, C.Savino, B.Vallone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.76 / 2.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	115.937, 117.379, 174.664, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 26

The structure of Olep, the Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis: Functional Analysis and Crystallographic Structure in Complex with Clotrimazole. also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Olep, the Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis: Functional Analysis and Crystallographic Structure in Complex with Clotrimazole. (pdb code 4xe3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Olep, the Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis: Functional Analysis and Crystallographic Structure in Complex with Clotrimazole., PDB code: 4xe3:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Olep, the Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis: Functional Analysis and Crystallographic Structure in Complex with Clotrimazole.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Olep, the Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis: Functional Analysis and Crystallographic Structure in Complex with Clotrimazole. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:42.6 occ:1.00 FE A:HEM501 0.0 42.6 1.0 ND A:HEM501 1.9 46.0 1.0 NAN A:CL6502 2.0 53.7 1.0 NA A:HEM501 2.0 40.2 1.0 NC A:HEM501 2.1 44.4 1.0 NB A:HEM501 2.1 40.2 1.0 SG A:CYS356 2.2 40.2 1.0 C1D A:HEM501 2.9 45.1 1.0 C4D A:HEM501 2.9 41.6 1.0 CAQ A:CL6502 2.9 55.8 1.0 C1A A:HEM501 3.0 41.5 1.0 C4B A:HEM501 3.0 39.0 1.0 CAM A:CL6502 3.0 54.2 1.0 C4A A:HEM501 3.0 41.5 1.0 C4C A:HEM501 3.0 47.2 1.0 C1B A:HEM501 3.0 40.8 1.0 C1C A:HEM501 3.1 44.3 1.0 CHA A:HEM501 3.4 40.2 1.0 CHD A:HEM501 3.4 47.0 1.0 CHC A:HEM501 3.4 42.2 1.0 CB A:CYS356 3.4 40.9 1.0 CHB A:HEM501 3.4 42.3 1.0 NAO A:CL6502 4.1 59.9 1.0 CAP A:CL6502 4.1 57.2 1.0 C2D A:HEM501 4.2 43.3 1.0 C3D A:HEM501 4.2 42.3 1.0 C3A A:HEM501 4.2 41.7 1.0 C2A A:HEM501 4.2 40.8 1.0 CA A:CYS356 4.2 40.2 1.0 C3B A:HEM501 4.3 39.7 1.0 C3C A:HEM501 4.3 48.2 1.0 C2C A:HEM501 4.3 45.6 1.0 C2B A:HEM501 4.3 39.6 1.0 C A:CYS356 4.9 41.2 1.0 N A:ILE357 4.9 42.9 1.0 N A:GLY358 5.0 46.6 1.0

Iron binding site 2 out of 2 in the Olep, the Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis: Functional Analysis and Crystallographic Structure in Complex with Clotrimazole.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Olep, the Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis: Functional Analysis and Crystallographic Structure in Complex with Clotrimazole. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:42.5 occ:1.00 FE B:HEM501 0.0 42.5 1.0 ND B:HEM501 1.9 42.5 1.0 NA B:HEM501 2.0 44.1 1.0 NC B:HEM501 2.1 40.2 1.0 NB B:HEM501 2.1 44.7 1.0 NAN B:CL6502 2.1 62.2 1.0 SG B:CYS356 2.2 47.5 1.0 CAM B:CL6502 2.8 63.0 1.0 C4D B:HEM501 2.9 43.4 1.0 C1D B:HEM501 2.9 40.8 1.0 C1A B:HEM501 3.0 46.5 1.0 C4A B:HEM501 3.0 42.9 1.0 C1B B:HEM501 3.0 44.0 1.0 C4B B:HEM501 3.1 42.2 1.0 C1C B:HEM501 3.1 38.9 1.0 C4C B:HEM501 3.1 43.4 1.0 CAQ B:CL6502 3.3 66.3 1.0 CHA B:HEM501 3.3 45.8 1.0 CHB B:HEM501 3.4 43.6 1.0 CHD B:HEM501 3.4 41.5 1.0 CHC B:HEM501 3.4 41.4 1.0 CB B:CYS356 3.4 44.9 1.0 NAO B:CL6502 4.0 65.2 1.0 C2D B:HEM501 4.2 41.8 1.0 CA B:CYS356 4.2 45.2 1.0 C3D B:HEM501 4.2 43.3 1.0 C2A B:HEM501 4.2 48.4 1.0 C3A B:HEM501 4.2 44.4 1.0 C3C B:HEM501 4.2 41.2 1.0 C2C B:HEM501 4.3 38.1 1.0 C2B B:HEM501 4.3 45.5 1.0 C3B B:HEM501 4.3 43.5 1.0 CAP B:CL6502 4.3 67.2 1.0 N B:GLY358 4.9 42.2 1.0 C B:CYS356 5.0 47.2 1.0

L.C.Montemiglio, G.Parisi, A.Scaglione, G.Sciara, C.Savino, B.Vallone. Functional Analysis and Crystallographic Structure of Clotrimazole Bound Olep, A Cytochrome P450 Epoxidase From Streptomyces Antibioticus Involved in Oleandomycin Biosynthesis. Biochim.Biophys.Acta V.1860 465 2015.
ISSN: ISSN 0006-3002
PubMed: 26475642
DOI: 10.1016/J.BBAGEN.2015.10.009