Chlorine 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:

Iron

(Fe)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine 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 Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl502 b:87.7 occ:1.00 CLAY A:CL6502 0.0 87.7 1.0 CAX A:CL6502 1.8 69.4 1.0 CAV A:CL6502 2.8 63.0 1.0 NAO A:CL6502 2.8 59.9 1.0 CAW A:CL6502 2.8 62.9 1.0 CAR A:CL6502 2.9 59.7 1.0 CAM A:CL6502 3.1 54.2 1.0 CAP A:CL6502 3.2 57.2 1.0 CAA A:CL6502 3.3 52.7 1.0 CAC A:CL6502 3.5 54.5 1.0 CD1 A:ILE397 3.6 58.7 1.0 NAN A:CL6502 3.7 53.7 1.0 CAQ A:CL6502 3.8 55.8 1.0 CG2 A:VAL291 4.0 52.1 1.0 CAT A:CL6502 4.1 60.1 1.0 CAU A:CL6502 4.1 63.3 1.0 OG1 A:THR248 4.3 60.6 1.0 CAL A:CL6502 4.4 66.7 1.0 CAB A:CL6502 4.4 49.9 1.0 CHB A:HEM501 4.5 42.3 1.0 CG2 A:THR248 4.5 47.6 1.0 CAS A:CL6502 4.6 60.3 1.0 C4A A:HEM501 4.6 41.5 1.0 CAE A:CL6502 4.8 54.3 1.0 C1B A:HEM501 4.8 40.8 1.0 CG1 A:ILE397 4.8 58.5 1.0 NA A:HEM501 4.9 40.2 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl502 b:96.5 occ:1.00 CLAY B:CL6502 0.0 96.5 1.0 CAX B:CL6502 1.8 80.0 1.0 CAE B:CL6502 2.8 52.3 1.0 CAV B:CL6502 2.8 83.4 1.0 CAW B:CL6502 2.9 69.8 1.0 CAL B:CL6502 3.0 61.2 1.0 CAC B:CL6502 3.1 59.1 1.0 CAR B:CL6502 3.2 62.4 1.0 CAK B:CL6502 3.3 62.1 1.0 O B:HOH608 3.4 40.0 1.0 CAJ B:CL6502 3.5 63.8 1.0 CAF B:CL6502 3.6 52.1 1.0 CAI B:CL6502 4.0 57.7 1.0 CAT B:CL6502 4.1 78.8 1.0 CAU B:CL6502 4.1 71.7 1.0 CAH B:CL6502 4.1 61.0 1.0 CAA B:CL6502 4.2 62.4 1.0 CAG B:CL6502 4.4 58.8 1.0 CD1 B:LEU94 4.6 61.3 1.0 CAD B:CL6502 4.6 58.7 1.0 NAO B:CL6502 4.6 65.2 1.0 CAS B:CL6502 4.6 77.2 1.0 CAB B:CL6502 4.8 66.7 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