Iodine in PDB 1u65: Ache W. Cpt-11

All present enzymatic activity of Ache W. Cpt-11:
3.1.1.7;

The structure of Ache W. Cpt-11, PDB code: 1u65 was solved by M.Harel, J.L.Hyatt, B.Brumshtein, C.L.Morton, R.W.Wadkins, I.Silman, J.L.Sussman, P.M.Potter, Israel Structural Proteomics Center (Ispc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.88 / 2.61
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	137.870, 137.870, 70.890, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 23.7

The binding sites of Iodine atom in the Ache W. Cpt-11 (pdb code 1u65). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Ache W. Cpt-11, PDB code: 1u65:

Iodine binding site 1 out of 1 in the Ache W. Cpt-11


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Ache W. Cpt-11 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1001 b:66.2 occ:0.60 OE1 A:GLU268 2.7 34.8 1.0 OE2 A:GLU268 2.8 36.1 1.0 NE2 A:HIS264 2.9 43.6 1.0 CD A:GLU268 3.0 36.3 1.0 CD2 A:HIS264 3.2 43.5 1.0 CE1 A:HIS264 4.1 44.6 1.0 CG A:GLU268 4.4 37.5 1.0 CG A:HIS264 4.5 43.8 1.0 O A:HOH1164 4.9 38.0 1.0 ND1 A:HIS264 4.9 45.7 1.0

M.Harel, J.L.Hyatt, B.Brumshtein, C.L.Morton, K.J.Yoon, R.M.Wadkins, I.Silman, J.L.Sussman, P.M.Potter. The Crystal Structure of the Complex of the Anticancer Prodrug 7-Ethyl-10-[4-(1-Piperidino)-1-Piperidino]- Carbonyloxycamptothecin (Cpt-11) with Torpedo Californica Acetylcholinesterase Provides A Molecular Explanation For Its Cholinergic Action Mol.Pharmacol. V. 67 1874 2005.
ISSN: ISSN 0026-895X
PubMed: 15772291
DOI: 10.1124/MOL.104.009944