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Chlorine 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:

Iron (Fe) 1 atom

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 2 in 2dy5

Go back to Chlorine Binding Sites List in 2dy5
Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl302

b:66.8
occ:1.00
 NE A:ARG27 3.2 35.9 1.0
NH2 A:ARG27 3.4 35.0 1.0
CZ A:ARG27 3.8 36.5 1.0
CD1 A:ILE211 3.8 40.0 1.0
CD1 A:LEU208 3.9 34.6 1.0
CG2 A:VAL24 4.2 30.8 1.0
CD A:ARG27 4.3 38.4 1.0
CB A:ARG27 4.9 39.0 1.0
CG2 A:ILE211 4.9 40.5 1.0

Chlorine binding site 2 out of 2 in 2dy5

Go back to Chlorine Binding Sites List in 2dy5
Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl301

b:77.3
occ:1.00
 CL A:224301 0.0 77.3 1.0
C15 A:224301 1.7 75.7 1.0
C13 A:224301 2.7 75.2 1.0
C14 A:224301 2.7 75.9 1.0
CD2 A:PHE37 3.5 62.6 1.0
CE2 A:PHE37 3.6 62.4 1.0
CE2 A:PHE33 3.7 67.8 1.0
CG1 A:VAL50 3.9 43.0 1.0
C12 A:224301 4.0 75.4 1.0
C11 A:224301 4.0 74.2 1.0
CG A:PHE37 4.0 62.7 1.0
CG2 A:VAL50 4.1 42.6 1.0
CZ A:PHE37 4.1 62.6 1.0
CB A:VAL50 4.3 41.4 1.0
CZ A:PHE33 4.4 68.1 1.0
CE A:MET34 4.4 71.7 1.0
C10 A:224301 4.5 74.2 1.0
CD1 A:PHE37 4.6 63.8 1.0
CE1 A:PHE37 4.6 63.3 1.0
CE1 A:PHE47 4.7 40.9 1.0
CD1 A:PHE47 4.7 40.7 1.0
CD2 A:PHE33 4.7 66.2 1.0
CB A:PHE37 4.8 62.9 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: Sat Jul 20 06:42:16 2024

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