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Sodium in PDB 6g4o: Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1

Enzymatic activity of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1

All present enzymatic activity of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1:
3.1.1.7;

Protein crystallography data

The structure of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1, PDB code: 6g4o was solved by G.Santoni, E.De La Mora, J.De Souza, I.Silman, J.Sussman, R.Baati, M.Weik, F.Nachon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.98 / 2.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.543, 106.351, 150.533, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 26.4

Other elements in 6g4o:

The structure of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 (pdb code 6g4o). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1, PDB code: 6g4o:

Sodium binding site 1 out of 1 in 6g4o

Go back to Sodium Binding Sites List in 6g4o
Sodium binding site 1 out of 1 in the Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Non-Aged Form of Torpedo Californica Acetylcholinesterase Inhibited By Tabun Analog Nedpa Bound to Uncharged Reactivator 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na606

b:63.3
occ:1.00
 OD2 B:ASP259 2.3 71.4 1.0
CG B:ASP259 3.6 61.4 1.0
N B:ASP259 3.7 60.1 1.0
CA B:SER258 3.9 52.6 1.0
OG B:SER258 4.1 75.0 1.0
CB B:SER258 4.2 57.4 1.0
C B:SER258 4.3 55.0 1.0
OD1 B:ASP259 4.4 62.4 1.0
CB B:ASP259 4.5 57.2 1.0
CA B:ASP259 4.8 61.2 1.0
O B:ASN257 4.8 69.0 1.0

Reference:

G.Santoni, J.De Sousa, E.De La Mora, J.Dias, L.Jean, J.L.Sussman, I.Silman, P.Y.Renard, R.C.D.Brown, M.Weik, R.Baati, F.Nachon. Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited By Organophosphorus Nerve Agents. J. Med. Chem. V. 61 7630 2018.
ISSN: ISSN 1520-4804
PubMed: 30125110
DOI: 10.1021/ACS.JMEDCHEM.8B00592
Page generated: Tue Oct 8 08:56:48 2024

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