Chlorine in PDB 2wfz: Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman

All present enzymatic activity of Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman:
3.1.1.7;

The structure of Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman, PDB code: 2wfz was solved by B.Sanson, F.Nachon, J.P.Colletier, M.T.Froment, L.Toker, H.M.Greenblatt, J.L.Sussman, Y.Ashani, P.Masson, I.Silman, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.79 / 1.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.410, 111.410, 137.380, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 19.6

The binding sites of Chlorine atom in the Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman (pdb code 2wfz). 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 Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman, PDB code: 2wfz:

Chlorine binding site 1 out of 1 in the Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl614 b:77.6 occ:1.00 O A:HOH1078 3.5 51.2 1.0 NZ A:LYS325 3.8 28.6 0.6 O A:TRP435 4.0 24.8 1.0 O A:HOH771 4.2 50.4 1.0 CA A:GLY437 4.4 23.8 1.0 OD1 A:ASP326 4.4 29.8 1.0 O A:GLU434 4.4 27.1 1.0 O A:HOH798 4.5 41.1 1.0 NZ A:LYS325 4.5 25.4 0.4 OD1 A:ASP389 4.5 29.4 1.0 O A:HOH1145 4.6 32.8 1.0 O A:HOH1265 4.6 55.2 1.0 N A:GLY437 4.7 23.9 1.0 C A:TRP435 4.7 25.1 1.0 O A:HOH828 4.7 38.8 1.0 OD2 A:ASP326 4.8 24.6 1.0 CG A:ASP326 4.9 26.1 1.0 NH2 A:ARG388 4.9 27.7 1.0

B.Sanson, F.Nachon, J.P.Colletier, M.T.Froment, L.Toker, H.M.Greenblatt, J.L.Sussman, Y.Ashani, P.Masson, I.Silman, M.Weik. Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of A Ternary Complex of the Aged Conjugate with Pralidoxime. J.Med.Chem. V. 52 7593 2009.
ISSN: ISSN 0022-2623
PubMed: 19642642
DOI: 10.1021/JM900433T