Chlorine in PDB 2wil: Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA5

All present enzymatic activity of Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA5:
3.1.1.8;

The structure of Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA5, PDB code: 2wil was solved by E.Carletti, N.Aurbek, E.Gillon, M.Loiodice, Y.Nicolet, J.Fontecilla, P.Masson, H.Thiermann, F.Nachon, F.Worek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.39 / 3.10
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	150.350, 150.350, 139.430, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 25.3

The binding sites of Chlorine atom in the Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA5 (pdb code 2wil). 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 Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA5, PDB code: 2wil:

Chlorine binding site 1 out of 1 in the Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl613 b:70.2 occ:1.00 OH A:TYR420 3.1 59.3 1.0 NH2 B:ARG509 4.0 92.4 1.0 CD A:LYS323 4.0 61.7 1.0 CZ A:TYR420 4.1 59.2 1.0 O1 A:SO4612 4.1 0.5 1.0 NH2 A:ARG515 4.1 79.2 1.0 CE A:LYS323 4.2 63.5 1.0 CE2 A:TYR420 4.3 59.5 1.0 CG A:LYS323 4.4 59.1 1.0

E.Carletti, N.Aurbek, E.Gillon, M.Loiodice, Y.Nicolet, J.Fontecilla, P.Masson, H.Thiermann, F.Nachon, F.Worek. Structure-Activity Analysis of Aging and Reactivation of Human Butyrylcholinesterase Inhibited By Analogues of Tabun Biochem.J. V. 421 97 2009.
ISSN: ISSN 0264-6021
PubMed: 19368529
DOI: 10.1042/BJ20090091