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Chlorine in PDB 2oye: Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1

Enzymatic activity of Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1

All present enzymatic activity of Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1:
1.14.99.1;

Protein crystallography data

The structure of Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1, PDB code: 2oye was solved by C.A.Harman, R.M.Garavito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.85
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 181.720, 181.720, 104.090, 90.00, 90.00, 120.00
R / Rfree (%) 24.5 / 29.2

Other elements in 2oye:

The structure of Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1 also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1 (pdb code 2oye). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1, PDB code: 2oye:

Chlorine binding site 1 out of 1 in 2oye

Go back to Chlorine Binding Sites List in 2oye
Chlorine binding site 1 out of 1 in the Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cl700

b:81.8
occ:1.00
 CL P:IM8700 0.0 81.8 1.0
C13 P:IM8700 1.7 81.8 1.0
C14 P:IM8700 2.7 81.8 1.0
C12 P:IM8700 2.7 81.8 1.0
CD2 P:LEU384 3.4 55.5 1.0
CG P:LEU384 3.5 55.5 1.0
O P:LEU384 3.5 57.1 1.0
CZ2 P:TRP387 3.6 49.4 1.0
NE1 P:TRP387 4.0 49.4 1.0
C15 P:IM8700 4.0 81.8 1.0
C11 P:IM8700 4.1 81.8 1.0
CE2 P:TRP387 4.1 49.4 1.0
CA P:GLY526 4.2 45.0 1.0
SD P:MET522 4.2 78.6 1.0
C P:LEU384 4.3 57.1 1.0
O P:MET522 4.4 45.5 1.0
CG P:MET522 4.4 78.6 1.0
CD1 P:LEU384 4.4 55.5 1.0
C10 P:IM8700 4.6 81.8 1.0
CB P:LEU384 4.6 55.5 1.0
CG P:TYR385 4.7 46.0 1.0
CH2 P:TRP387 4.7 49.4 1.0
CD2 P:TYR385 4.7 46.0 1.0
CE1 P:PHE381 4.7 38.2 1.0
CA P:TYR385 4.8 55.9 1.0
CD1 P:TYR385 4.8 46.0 1.0
C P:GLY526 4.8 45.0 1.0
N P:TYR385 4.8 55.9 1.0
CE2 P:TYR385 4.9 46.0 1.0
N P:GLY526 5.0 45.0 1.0
CE1 P:TYR385 5.0 46.0 1.0

Reference:

C.A.Harman, M.V.Turman, K.R.Kozak, L.J.Marnett, W.L.Smith, R.M.Garavito. Structural Basis of Enantioselective Inhibition of Cyclooxygenase-1 By S-Alpha-Substituted Indomethacin Ethanolamides. J.Biol.Chem. V. 282 28096 2007.
ISSN: ISSN 0021-9258
PubMed: 17656360
DOI: 10.1074/JBC.M701335200
Page generated: Sat Jul 20 09:53:15 2024

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