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Fluorine in PDB 2wsl: Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA4

Enzymatic activity of Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA4

All present enzymatic activity of Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA4:
3.1.1.8;

Protein crystallography data

The structure of Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA4, PDB code: 2wsl 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) 48.87 / 2.00
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.860, 154.860, 126.010, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 22

Other elements in 2wsl:

The structure of Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA4 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA4 (pdb code 2wsl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA4, PDB code: 2wsl:

Fluorine binding site 1 out of 1 in 2wsl

Go back to Fluorine Binding Sites List in 2wsl
Fluorine binding site 1 out of 1 in the Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Aged Form of Human Butyrylcholinesterase Inhibited By Tabun Analogue TA4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1546

b:46.5
occ:1.00
 OG A:SER466 2.2 24.6 1.0
O A:HOH2336 2.5 34.5 1.0
O A:HOH2364 2.6 47.4 1.0
CB A:SER466 3.3 21.1 1.0
NE A:ARG470 3.5 19.4 1.0
NH1 A:ARG470 3.5 20.6 1.0
CZ A:ARG470 4.0 21.0 1.0
OG1 A:THR508 4.0 36.6 1.0
OG A:SER487 4.4 31.4 1.0
CA A:SER466 4.5 21.0 1.0
CD A:ARG470 4.6 17.4 1.0
CB A:SER487 4.7 30.4 1.0
C A:SER466 4.9 20.5 1.0
O A:HOH2359 4.9 48.4 1.0

Reference:

E.Carletti, N.Aurbek, E.Gillon, M.Loiodice, Y.Nicolet, J.C.Fontecilla-Camps, 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: ESSN 1470-8728
PubMed: 19368529
DOI: 10.1042/BJ20090091
Page generated: Wed Jul 31 16:27:22 2024

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