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Iron in PDB 3p3l: Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Wildtype) From Streptomyces Thioluteus

Protein crystallography data

The structure of Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Wildtype) From Streptomyces Thioluteus, PDB code: 3p3l was solved by G.Zocher, M.E.A.Richter, U.Mueller, C.Hertweck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 152.430, 54.140, 130.300, 90.00, 123.32, 90.00
R / Rfree (%) 21.4 / 26.4

Other elements in 3p3l:

The structure of Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Wildtype) From Streptomyces Thioluteus also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Wildtype) From Streptomyces Thioluteus (pdb code 3p3l). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Wildtype) From Streptomyces Thioluteus, PDB code: 3p3l:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3p3l

Go back to Iron Binding Sites List in 3p3l
Iron binding site 1 out of 2 in the Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Wildtype) From Streptomyces Thioluteus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Wildtype) From Streptomyces Thioluteus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:16.7
occ:1.00
FE A:HEM501 0.0 16.7 1.0
O B:HOH723 1.9 18.5 1.0
NB A:HEM501 2.1 17.4 1.0
NC A:HEM501 2.1 16.2 1.0
NA A:HEM501 2.1 16.2 1.0
ND A:HEM501 2.1 15.9 1.0
SG A:CYS355 2.4 14.5 1.0
C1B A:HEM501 3.1 17.7 1.0
C4C A:HEM501 3.1 16.3 1.0
C4B A:HEM501 3.1 18.1 1.0
C1D A:HEM501 3.1 15.1 1.0
C4A A:HEM501 3.1 16.7 1.0
C1C A:HEM501 3.1 17.2 1.0
C1A A:HEM501 3.1 16.6 1.0
C4D A:HEM501 3.1 15.8 1.0
CHD A:HEM501 3.4 15.8 1.0
CHB A:HEM501 3.4 17.6 1.0
CB A:CYS355 3.5 15.4 1.0
CHC A:HEM501 3.5 17.4 1.0
CHA A:HEM501 3.5 15.7 1.0
O A:ALA243 4.1 19.2 1.0
CA A:CYS355 4.2 15.6 1.0
O B:HOH650 4.2 27.2 1.0
C2B A:HEM501 4.3 18.4 1.0
C3B A:HEM501 4.3 18.5 1.0
C3C A:HEM501 4.3 16.2 1.0
C2C A:HEM501 4.3 16.9 1.0
C3A A:HEM501 4.3 17.2 1.0
C2D A:HEM501 4.3 15.3 1.0
C2A A:HEM501 4.3 16.6 1.0
C3D A:HEM501 4.4 14.5 1.0
N A:LEU356 4.7 16.4 1.0
OG1 A:THR247 4.7 19.8 1.0
C A:CYS355 4.8 16.0 1.0
CB A:ALA243 4.8 18.8 1.0
C A:ALA243 4.8 19.1 1.0
N A:GLY357 4.9 16.2 1.0

Iron binding site 2 out of 2 in 3p3l

Go back to Iron Binding Sites List in 3p3l
Iron binding site 2 out of 2 in the Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Wildtype) From Streptomyces Thioluteus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Wildtype) From Streptomyces Thioluteus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:13.3
occ:1.00
FE B:HEM501 0.0 13.3 1.0
NC B:HEM501 2.1 12.1 1.0
NB B:HEM501 2.1 13.1 1.0
ND B:HEM501 2.1 12.0 1.0
NA B:HEM501 2.1 12.7 1.0
O B:HOH641 2.2 17.6 1.0
SG B:CYS355 2.4 12.4 1.0
C4C B:HEM501 3.1 11.8 1.0
C1D B:HEM501 3.1 11.8 1.0
C4B B:HEM501 3.1 13.5 1.0
C4D B:HEM501 3.1 12.5 1.0
C1C B:HEM501 3.1 12.3 1.0
C1B B:HEM501 3.1 13.2 1.0
C1A B:HEM501 3.1 12.6 1.0
C4A B:HEM501 3.1 12.2 1.0
CHD B:HEM501 3.4 11.8 1.0
CHC B:HEM501 3.4 12.8 1.0
CHA B:HEM501 3.4 12.2 1.0
CHB B:HEM501 3.5 13.0 1.0
CB B:CYS355 3.5 12.1 1.0
CA B:CYS355 4.2 12.0 1.0
O B:ALA243 4.2 12.5 1.0
C3C B:HEM501 4.3 12.4 1.0
C3B B:HEM501 4.3 13.7 1.0
C2B B:HEM501 4.3 13.1 1.0
C2D B:HEM501 4.3 12.1 1.0
C2C B:HEM501 4.3 12.2 1.0
C3D B:HEM501 4.3 11.9 1.0
C2A B:HEM501 4.3 11.9 1.0
C3A B:HEM501 4.3 12.7 1.0
OG1 B:THR247 4.7 13.6 1.0
N B:LEU356 4.7 12.3 1.0
N B:GLY357 4.8 12.2 1.0
C B:CYS355 4.8 12.2 1.0
CB B:ALA243 4.8 11.2 1.0
C B:ALA243 4.9 12.0 1.0
CG2 B:THR247 5.0 12.9 1.0

Reference:

G.Zocher, M.E.Richter, U.Mueller, C.Hertweck. Structural Fine-Tuning of A Multifunctional Cytochrome P450 Monooxygenase. J.Am.Chem.Soc. V. 133 2292 2011.
ISSN: ISSN 0002-7863
PubMed: 21280577
DOI: 10.1021/JA110146Z
Page generated: Sun Aug 4 17:22:28 2024

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