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Chlorine in PDB 6ary: Crystal Structure of An Insecticide-Resistant Acetylcholinesterase Mutant From the Malaria Vector Anopheles Gambiae in Complex with A Difluoromethyl Ketone Inhibitor

Enzymatic activity of Crystal Structure of An Insecticide-Resistant Acetylcholinesterase Mutant From the Malaria Vector Anopheles Gambiae in Complex with A Difluoromethyl Ketone Inhibitor

All present enzymatic activity of Crystal Structure of An Insecticide-Resistant Acetylcholinesterase Mutant From the Malaria Vector Anopheles Gambiae in Complex with A Difluoromethyl Ketone Inhibitor:
3.1.1.7;

Protein crystallography data

The structure of Crystal Structure of An Insecticide-Resistant Acetylcholinesterase Mutant From the Malaria Vector Anopheles Gambiae in Complex with A Difluoromethyl Ketone Inhibitor, PDB code: 6ary was solved by J.Cheung, A.Mahmood, R.Kalathur, L.Lixuan, P.R.Carlier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.30 / 2.26
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 150.333, 150.333, 226.478, 90.00, 90.00, 120.00
R / Rfree (%) 16.2 / 18.6

Other elements in 6ary:

The structure of Crystal Structure of An Insecticide-Resistant Acetylcholinesterase Mutant From the Malaria Vector Anopheles Gambiae in Complex with A Difluoromethyl Ketone Inhibitor also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Insecticide-Resistant Acetylcholinesterase Mutant From the Malaria Vector Anopheles Gambiae in Complex with A Difluoromethyl Ketone Inhibitor (pdb code 6ary). 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 Crystal Structure of An Insecticide-Resistant Acetylcholinesterase Mutant From the Malaria Vector Anopheles Gambiae in Complex with A Difluoromethyl Ketone Inhibitor, PDB code: 6ary:

Chlorine binding site 1 out of 1 in 6ary

Go back to Chlorine Binding Sites List in 6ary
Chlorine binding site 1 out of 1 in the Crystal Structure of An Insecticide-Resistant Acetylcholinesterase Mutant From the Malaria Vector Anopheles Gambiae in Complex with A Difluoromethyl Ketone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of An Insecticide-Resistant Acetylcholinesterase Mutant From the Malaria Vector Anopheles Gambiae in Complex with A Difluoromethyl Ketone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl806

b:77.3
occ:1.00
NH1 A:ARG376 3.3 61.8 1.0
NH2 A:ARG376 3.5 60.6 1.0
CA A:ARG472 3.7 63.2 1.0
CZ A:ARG376 3.8 74.9 1.0
CB A:ARG472 3.9 61.8 1.0
C A:ARG472 3.9 61.2 1.0
N A:PHE473 4.1 61.6 1.0
CG A:ARG472 4.1 68.1 1.0
O A:ARG472 4.6 67.4 1.0
CD A:ARG472 4.8 65.7 1.0
O A:PHE473 4.9 65.8 1.0
CA A:PHE473 4.9 63.5 1.0
O A:GLY471 5.0 63.0 1.0

Reference:

J.Cheung, A.Mahmood, R.Kalathur, L.Liu, P.R.Carlier. Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles Gambiae Reveals Basis of Insecticide Resistance. Structure V. 26 130 2018.
ISSN: ISSN 1878-4186
PubMed: 29276037
DOI: 10.1016/J.STR.2017.11.021
Page generated: Fri Jul 26 22:16:55 2024

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