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Iron in PDB 2dy5: Crystal Structure of Rat Heme Oxygenase-1 in Complex with Heme and 2-[2-(4-Chlorophenyl)Ethyl]-2-[(1H-Imidazol-1-Yl) Methyl]-1,3-Dioxolane

Enzymatic activity of Crystal Structure of Rat Heme Oxygenase-1 in Complex with Heme and 2-[2-(4-Chlorophenyl)Ethyl]-2-[(1H-Imidazol-1-Yl) Methyl]-1,3-Dioxolane

All present enzymatic activity of Crystal Structure of Rat Heme Oxygenase-1 in Complex with Heme and 2-[2-(4-Chlorophenyl)Ethyl]-2-[(1H-Imidazol-1-Yl) Methyl]-1,3-Dioxolane:
1.14.99.3;

Protein crystallography data

The structure of Crystal Structure of Rat Heme Oxygenase-1 in Complex with Heme and 2-[2-(4-Chlorophenyl)Ethyl]-2-[(1H-Imidazol-1-Yl) Methyl]-1,3-Dioxolane, PDB code: 2dy5 was solved by M.Sugishima, H.Takahashi, K.Fukuyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.70
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 66.780, 66.780, 121.390, 90.00, 90.00, 120.00
R / Rfree (%) 19.4 / 24.8

Other elements in 2dy5:

The structure of Crystal Structure of Rat Heme Oxygenase-1 in Complex with Heme and 2-[2-(4-Chlorophenyl)Ethyl]-2-[(1H-Imidazol-1-Yl) Methyl]-1,3-Dioxolane also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Rat Heme Oxygenase-1 in Complex with Heme and 2-[2-(4-Chlorophenyl)Ethyl]-2-[(1H-Imidazol-1-Yl) Methyl]-1,3-Dioxolane (pdb code 2dy5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Rat Heme Oxygenase-1 in Complex with Heme and 2-[2-(4-Chlorophenyl)Ethyl]-2-[(1H-Imidazol-1-Yl) Methyl]-1,3-Dioxolane, PDB code: 2dy5:

Iron binding site 1 out of 1 in 2dy5

Go back to Iron Binding Sites List in 2dy5
Iron binding site 1 out of 1 in the Crystal Structure of Rat Heme Oxygenase-1 in Complex with Heme and 2-[2-(4-Chlorophenyl)Ethyl]-2-[(1H-Imidazol-1-Yl) Methyl]-1,3-Dioxolane


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 Rat Heme Oxygenase-1 in Complex with Heme and 2-[2-(4-Chlorophenyl)Ethyl]-2-[(1H-Imidazol-1-Yl) Methyl]-1,3-Dioxolane within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:40.4
occ:1.00
 FE A:HEM300 0.0 40.4 1.0
NB A:HEM300 2.0 43.5 1.0
ND A:HEM300 2.0 41.9 1.0
NC A:HEM300 2.0 42.6 1.0
NA A:HEM300 2.0 43.3 1.0
N2 A:224301 2.2 52.3 1.0
NE2 A:HIS25 2.2 35.3 1.0
C4D A:HEM300 3.0 42.0 1.0
C1B A:HEM300 3.0 45.1 1.0
C1D A:HEM300 3.0 41.7 1.0
C4B A:HEM300 3.0 43.6 1.0
C4A A:HEM300 3.0 44.8 1.0
C4C A:HEM300 3.1 43.6 1.0
C1A A:HEM300 3.1 44.2 1.0
C1C A:HEM300 3.1 42.6 1.0
C3 A:224301 3.1 56.5 1.0
CE1 A:HIS25 3.2 35.0 1.0
CD2 A:HIS25 3.2 34.3 1.0
C2 A:224301 3.2 55.4 1.0
CHA A:HEM300 3.4 42.7 1.0
CHC A:HEM300 3.4 42.8 1.0
CHB A:HEM300 3.4 45.5 1.0
CHD A:HEM300 3.4 43.4 1.0
N1 A:224301 4.3 57.7 1.0
C3C A:HEM300 4.3 43.4 1.0
C3D A:HEM300 4.3 42.1 1.0
C2B A:HEM300 4.3 46.6 1.0
C3B A:HEM300 4.3 47.0 1.0
C1 A:224301 4.3 56.2 1.0
C2A A:HEM300 4.3 46.6 1.0
C3A A:HEM300 4.3 45.4 1.0
C2D A:HEM300 4.3 41.0 1.0
C2C A:HEM300 4.3 44.4 1.0
ND1 A:HIS25 4.3 36.5 1.0
CG A:HIS25 4.3 35.6 1.0

Reference:

M.Sugishima, Y.Higashimoto, T.Oishi, H.Takahashi, H.Sakamoto, M.Noguchi, K.Fukuyama. X-Ray Crystallographic and Biochemical Characterization of the Inhibitory Action of An Imidazole-Dioxolane Compound on Heme Oxygenase Biochemistry V. 46 1860 2007.
ISSN: ISSN 0006-2960
PubMed: 17253780
DOI: 10.1021/BI062264P
Page generated: Sun Dec 13 14:42:58 2020

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