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

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

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

Protein crystallography data

The structure of Indomethacin-(S)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1, PDB code: 2oyu 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 / 2.70
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 181.410, 181.410, 103.398, 90.00, 90.00, 120.00
R / Rfree (%) 24.1 / 29.2

Other elements in 2oyu:

The structure of Indomethacin-(S)-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-(S)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1 (pdb code 2oyu). 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-(S)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1, PDB code: 2oyu:

Chlorine binding site 1 out of 1 in 2oyu

Go back to Chlorine Binding Sites List in 2oyu
Chlorine binding site 1 out of 1 in the Indomethacin-(S)-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-(S)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cl700

b:60.3
occ:1.00
CL P:IMS700 0.0 60.3 1.0
C13 P:IMS700 1.5 60.4 1.0
C12 P:IMS700 2.5 60.4 1.0
C14 P:IMS700 2.5 59.8 1.0
CE P:MET113 3.1 53.4 1.0
CD2 P:LEU359 3.2 50.2 1.0
SD P:MET113 3.3 58.0 1.0
CB P:LEU359 3.4 50.2 1.0
CG P:LEU359 3.5 49.9 1.0
CD1 P:LEU359 3.6 50.7 1.0
C11 P:IMS700 3.8 59.6 1.0
C15 P:IMS700 3.8 59.8 1.0
CA P:LEU359 4.2 50.4 1.0
CG1 P:VAL116 4.2 46.2 1.0
C10 P:IMS700 4.2 59.7 1.0
CG2 P:ILE345 4.7 46.1 1.0
N P:LYS360 4.8 49.9 1.0
CD2 P:LEU531 5.0 46.8 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: Thu Jul 10 23:42:33 2025

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