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Iron 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:

Chlorine (Cl) 1 atom

Iron Binding Sites:

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

Iron binding site 1 out of 1 in 2oyu

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

b:49.9
occ:1.00
FE P:HEM601 0.0 49.9 1.0
NB P:HEM601 2.0 50.4 1.0
NC P:HEM601 2.0 50.3 1.0
ND P:HEM601 2.1 49.5 1.0
NA P:HEM601 2.2 50.8 1.0
NE2 P:HIS388 2.5 46.5 1.0
CD2 P:HIS388 2.8 46.4 1.0
C4C P:HEM601 3.0 49.4 1.0
C1B P:HEM601 3.0 50.9 1.0
C4B P:HEM601 3.0 51.0 1.0
C1C P:HEM601 3.0 50.1 1.0
C1D P:HEM601 3.1 49.0 1.0
C4A P:HEM601 3.1 51.2 1.0
C4D P:HEM601 3.2 48.8 1.0
C1A P:HEM601 3.2 50.8 1.0
CHD P:HEM601 3.4 48.5 1.0
CHC P:HEM601 3.4 50.3 1.0
CHB P:HEM601 3.4 50.6 1.0
CHA P:HEM601 3.6 49.7 1.0
CE1 P:HIS388 3.6 47.5 1.0
OE1 P:GLN203 3.9 48.1 1.0
CG P:HIS388 4.1 47.3 1.0
C3C P:HEM601 4.2 49.4 1.0
C2C P:HEM601 4.2 49.4 1.0
C2B P:HEM601 4.2 51.7 1.0
C3B P:HEM601 4.2 51.5 1.0
C2D P:HEM601 4.3 48.9 1.0
C3A P:HEM601 4.4 51.8 1.0
C3D P:HEM601 4.4 47.8 1.0
ND1 P:HIS388 4.4 47.1 1.0
C2A P:HEM601 4.4 51.2 1.0
CD P:GLN203 4.6 48.1 1.0
CG P:GLN203 4.9 49.9 1.0
CE1 P:HIS207 4.9 53.3 1.0
NE2 P:HIS207 5.0 52.4 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 Dec 13 14:50:44 2020

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