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Iron 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:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total only one binding site of Iron was determined in the Indomethacin-(R)-Alpha-Ethyl-Ethanolamide Bound to Cyclooxygenase-1, PDB code: 2oye:

Iron binding site 1 out of 1 in 2oye

Go back to Iron Binding Sites List in 2oye
Iron 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 Iron with other atoms in the Fe 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:Fe601

b:73.2
occ:1.00
 FE P:HEM601 0.0 73.2 1.0
ND P:HEM601 1.9 73.2 1.0
NB P:HEM601 1.9 73.2 1.0
NA P:HEM601 2.0 73.2 1.0
NE2 P:HIS388 2.0 57.3 1.0
NC P:HEM601 2.0 73.2 1.0
C4D P:HEM601 3.0 73.2 1.0
C4B P:HEM601 3.0 73.2 1.0
C1D P:HEM601 3.0 73.2 1.0
CD2 P:HIS388 3.0 57.3 1.0
C1C P:HEM601 3.0 73.2 1.0
CE1 P:HIS388 3.0 57.3 1.0
C1A P:HEM601 3.0 73.2 1.0
C4A P:HEM601 3.1 73.2 1.0
C1B P:HEM601 3.1 73.2 1.0
C4C P:HEM601 3.1 73.2 1.0
CHA P:HEM601 3.3 73.2 1.0
CHC P:HEM601 3.4 73.2 1.0
CHB P:HEM601 3.4 73.2 1.0
CHD P:HEM601 3.4 73.2 1.0
OE1 P:GLN203 4.1 69.4 1.0
ND1 P:HIS388 4.2 57.3 1.0
CG P:HIS388 4.2 57.3 1.0
C3D P:HEM601 4.2 73.2 1.0
C3B P:HEM601 4.3 73.2 1.0
C2C P:HEM601 4.3 73.2 1.0
C2D P:HEM601 4.3 73.2 1.0
C3C P:HEM601 4.3 73.2 1.0
C2B P:HEM601 4.3 73.2 1.0
C2A P:HEM601 4.4 73.2 1.0
C3A P:HEM601 4.4 73.2 1.0
CE1 P:HIS207 4.5 76.5 1.0
CG1 P:VAL447 4.6 45.0 1.0
NE2 P:HIS207 4.7 76.5 1.0
CD P:GLN203 4.8 69.4 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: Sun Aug 4 01:08:35 2024

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