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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.

Protein crystallography data

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

Other elements in 4xe3:

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

Iron Binding Sites:

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 4xe3

Go back to Iron Binding Sites List in 4xe3
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 4xe3

Go back to Iron Binding Sites List in 4xe3
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

Reference:

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
Page generated: Sun Dec 13 15:51:47 2020

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