Iodine in PDB 1ek1: Crystal Structure of Murine Soluble Epoxide Hydrolase Complexed with Ciu Inhibitor

All present enzymatic activity of Crystal Structure of Murine Soluble Epoxide Hydrolase Complexed with Ciu Inhibitor:
3.3.2.3;

The structure of Crystal Structure of Murine Soluble Epoxide Hydrolase Complexed with Ciu Inhibitor, PDB code: 1ek1 was solved by M.A.Argiriadi, C.Morisseau, M.H.Goodrow, D.L.Dowdy, B.D.Hammock, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	151.900, 143.000, 60.000, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 30.5

The binding sites of Iodine atom in the Crystal Structure of Murine Soluble Epoxide Hydrolase Complexed with Ciu Inhibitor (pdb code 1ek1). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Murine Soluble Epoxide Hydrolase Complexed with Ciu Inhibitor, PDB code: 1ek1:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of Murine Soluble Epoxide Hydrolase Complexed with Ciu Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Murine Soluble Epoxide Hydrolase Complexed with Ciu Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:I1100 b:73.0 occ:1.00 I4 A:CIU1100 0.0 73.0 1.0 C11 A:CIU1100 2.3 46.1 1.0 C10 A:CIU1100 3.2 41.9 1.0 C12 A:CIU1100 3.3 43.3 1.0 CE A:MET361 3.7 48.7 1.0 CZ3 A:TRP334 3.9 23.9 1.0 CH2 A:TRP334 4.0 27.9 1.0 CG2 A:VAL337 4.2 9.1 1.0 CG1 A:VAL337 4.5 4.5 1.0 C9 A:CIU1100 4.6 34.2 1.0 CE3 A:TRP334 4.6 16.4 1.0 CZ2 A:TRP334 4.6 24.2 1.0 C13 A:CIU1100 4.6 33.9 1.0 SD A:MET361 4.9 46.6 1.0 CB A:VAL337 5.0 7.3 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of Murine Soluble Epoxide Hydrolase Complexed with Ciu Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Murine Soluble Epoxide Hydrolase Complexed with Ciu Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:I1200 b:70.5 occ:1.00 I4 B:CIU1200 0.0 70.5 1.0 C11 B:CIU1200 2.3 49.2 1.0 C10 B:CIU1200 3.2 45.9 1.0 C12 B:CIU1200 3.3 40.0 1.0 CE B:MET361 3.6 43.5 1.0 CZ3 B:TRP334 3.8 20.8 1.0 CG2 B:VAL337 3.9 9.8 1.0 CH2 B:TRP334 3.9 21.1 1.0 O B:HOH1004 4.1 14.3 1.0 CE3 B:TRP334 4.3 26.1 1.0 CZ2 B:TRP334 4.4 27.4 1.0 CG1 B:VAL337 4.5 7.7 1.0 C9 B:CIU1200 4.6 35.2 1.0 C13 B:CIU1200 4.6 29.3 1.0 SD B:MET361 4.7 47.3 1.0 CB B:VAL337 4.8 18.2 1.0 CD2 B:TRP334 4.8 29.4 1.0 CE2 B:TRP334 4.9 29.1 1.0

M.A.Argiriadi, C.Morisseau, M.H.Goodrow, D.L.Dowdy, B.D.Hammock, D.W.Christianson. Binding of Alkylurea Inhibitors to Epoxide Hydrolase Implicates Active Site Tyrosines in Substrate Activation. J.Biol.Chem. V. 275 15265 2000.
ISSN: ISSN 0021-9258
PubMed: 10747889
DOI: 10.1074/JBC.M000278200