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 / R_free (%)*	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

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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: Sat Jul 20 09:53:37 2024

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