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Iron in PDB 2rcl: Crystal Structure of Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution

Enzymatic activity of Crystal Structure of Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution

All present enzymatic activity of Crystal Structure of Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution:
4.2.1.92;

Protein crystallography data

The structure of Crystal Structure of Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution, PDB code: 2rcl was solved by D.S.Lee, P.Nioche, C.S.Raman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 88.39 / 2.41
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.382, 105.291, 162.389, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 20.9

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution (pdb code 2rcl). 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 Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution, PDB code: 2rcl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2rcl

Go back to Iron Binding Sites List in 2rcl
Iron binding site 1 out of 2 in the Crystal Structure of Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution


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 Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe600

b:24.2
occ:1.00
 FE A:HEM600 0.0 24.2 1.0
ND A:HEM600 2.1 22.2 1.0
NA A:HEM600 2.1 23.3 1.0
NC A:HEM600 2.1 23.0 1.0
NB A:HEM600 2.2 23.9 1.0
SG A:CYS471 2.3 27.5 1.0
C1A A:HEM600 3.1 24.4 1.0
C4D A:HEM600 3.1 23.4 1.0
C1C A:HEM600 3.1 23.3 1.0
C1D A:HEM600 3.1 22.7 1.0
C4C A:HEM600 3.1 24.0 1.0
C4B A:HEM600 3.2 22.9 1.0
C4A A:HEM600 3.2 23.7 1.0
C1B A:HEM600 3.2 22.9 1.0
CB A:CYS471 3.3 26.2 1.0
CHA A:HEM600 3.4 22.6 1.0
CHC A:HEM600 3.5 23.0 1.0
CHD A:HEM600 3.5 22.9 1.0
CHB A:HEM600 3.6 22.4 1.0
CA A:CYS471 3.9 27.3 1.0
O3 A:T25601 4.2 48.7 1.0
C2C A:HEM600 4.3 24.6 1.0
C3C A:HEM600 4.3 23.2 1.0
C2A A:HEM600 4.3 22.9 1.0
C3D A:HEM600 4.3 21.7 1.0
CB A:ASN321 4.3 27.2 1.0
C2D A:HEM600 4.3 22.0 1.0
C3A A:HEM600 4.4 24.3 1.0
C13 A:T25601 4.4 49.0 1.0
C3B A:HEM600 4.4 22.5 1.0
C2B A:HEM600 4.4 22.8 1.0
ND2 A:ASN321 4.5 26.9 1.0
N A:ALA472 4.5 28.4 1.0
C A:CYS471 4.6 27.9 1.0
C12 A:T25601 4.6 49.3 1.0
N A:GLY473 4.8 28.8 1.0
CG A:ASN321 4.8 25.9 1.0

Iron binding site 2 out of 2 in 2rcl

Go back to Iron Binding Sites List in 2rcl
Iron binding site 2 out of 2 in the Crystal Structure of Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution


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 Arabidopsis Thaliana Allene Oxide Synthase (Aos, Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe600

b:23.2
occ:1.00
 FE B:HEM600 0.0 23.2 1.0
NB B:HEM600 2.1 22.0 1.0
ND B:HEM600 2.1 23.3 1.0
NA B:HEM600 2.1 22.6 1.0
NC B:HEM600 2.1 23.4 1.0
SG B:CYS471 2.3 29.7 1.0
C4B B:HEM600 3.1 22.0 1.0
C1C B:HEM600 3.1 21.3 1.0
C4D B:HEM600 3.1 22.5 1.0
C1A B:HEM600 3.1 23.4 1.0
C1D B:HEM600 3.1 23.1 1.0
C1B B:HEM600 3.1 24.6 1.0
C4C B:HEM600 3.2 22.7 1.0
C4A B:HEM600 3.2 23.4 1.0
CHC B:HEM600 3.4 21.8 1.0
CB B:CYS471 3.4 29.0 1.0
CHA B:HEM600 3.4 22.2 1.0
CHD B:HEM600 3.5 22.4 1.0
CHB B:HEM600 3.5 22.8 1.0
O B:HOH809 3.8 43.8 1.0
CA B:CYS471 4.0 29.6 1.0
CB B:ASN321 4.2 30.5 1.0
C2C B:HEM600 4.3 21.0 1.0
C3D B:HEM600 4.3 22.9 1.0
C3B B:HEM600 4.3 21.4 1.0
C3C B:HEM600 4.3 21.9 1.0
C2D B:HEM600 4.3 22.4 1.0
C2A B:HEM600 4.3 24.5 1.0
C2B B:HEM600 4.3 23.1 1.0
C3A B:HEM600 4.4 24.5 1.0
ND2 B:ASN321 4.5 29.1 1.0
N B:ALA472 4.6 29.7 1.0
C B:CYS471 4.7 30.1 1.0
CG B:ASN321 4.8 30.4 1.0
N B:GLY473 4.8 29.5 1.0
O B:ASN321 4.9 29.8 1.0
CA B:ASN321 5.0 30.3 1.0

Reference:

D.S.Lee, P.Nioche, M.Hamberg, C.S.Raman. Structural Insights Into the Evolutionary Paths of Oxylipin Biosynthetic Enzymes. Nature V. 455 363 2008.
ISSN: ISSN 0028-0836
PubMed: 18716621
DOI: 10.1038/NATURE07307
Page generated: Sun Aug 4 02:09:14 2024

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