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Chlorine in PDB 2wg2: Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman (Alternative Refinement)

Enzymatic activity of Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman (Alternative Refinement)

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

Protein crystallography data

The structure of Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman (Alternative Refinement), PDB code: 2wg2 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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman (Alternative Refinement) (pdb code 2wg2). 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 (Alternative Refinement), PDB code: 2wg2:

Chlorine binding site 1 out of 1 in 2wg2

Go back to Chlorine Binding Sites List in 2wg2
Chlorine binding site 1 out of 1 in the Non-Aged Conjugate of Torpedo Californica Acetylcholinesterase with Soman (Alternative Refinement)


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 (Alternative Refinement) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2549

b:77.6
occ:1.00
 O A:HOH1429 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:HOH1496 4.2 50.5 1.0
CA A:GLY437 4.4 23.8 1.0
O A:GLU434 4.4 27.1 1.0
OD1 A:ASP326 4.4 29.8 1.0
O A:HOH1530 4.4 41.0 1.0
NZ A:LYS325 4.5 25.4 0.4
OD1 A:ASP389 4.5 29.4 1.0
O A:HOH1425 4.6 32.9 1.0
O A:HOH1224 4.6 55.1 1.0
N A:GLY437 4.7 23.9 1.0
C A:TRP435 4.7 25.1 1.0
O A:HOH1494 4.7 38.9 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
CA A:TRP435 5.0 25.2 1.0

Reference:

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
Page generated: Sat Jul 20 12:48:37 2024

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