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Chlorine in PDB 4bbz: Structure of Human Butyrylcholinesterase Inhibited By Cbdp ( 2-Min Soak): Cresyl-Phosphoserine Adduct

Enzymatic activity of Structure of Human Butyrylcholinesterase Inhibited By Cbdp ( 2-Min Soak): Cresyl-Phosphoserine Adduct

All present enzymatic activity of Structure of Human Butyrylcholinesterase Inhibited By Cbdp ( 2-Min Soak): Cresyl-Phosphoserine Adduct:
3.1.1.8;

Protein crystallography data

The structure of Structure of Human Butyrylcholinesterase Inhibited By Cbdp ( 2-Min Soak): Cresyl-Phosphoserine Adduct, PDB code: 4bbz was solved by E.Carletti, J.-P.Colletier, L.M.Schopfer, G.Santoni, P.Masson, O.Lockridge, F.Nachon, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.688 / 2.70
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.680, 154.680, 126.990, 90.00, 90.00, 90.00
R / Rfree (%) 16.63 / 22.48

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Butyrylcholinesterase Inhibited By Cbdp ( 2-Min Soak): Cresyl-Phosphoserine Adduct (pdb code 4bbz). 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 Structure of Human Butyrylcholinesterase Inhibited By Cbdp ( 2-Min Soak): Cresyl-Phosphoserine Adduct, PDB code: 4bbz:

Chlorine binding site 1 out of 1 in 4bbz

Go back to Chlorine Binding Sites List in 4bbz
Chlorine binding site 1 out of 1 in the Structure of Human Butyrylcholinesterase Inhibited By Cbdp ( 2-Min Soak): Cresyl-Phosphoserine Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Butyrylcholinesterase Inhibited By Cbdp ( 2-Min Soak): Cresyl-Phosphoserine Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl713

b:77.6
occ:1.00
CD A:LYS45 3.4 37.6 1.0
NZ A:LYS45 3.8 39.6 1.0
CE A:LYS45 4.0 40.0 1.0
CG A:LYS45 4.7 26.1 1.0
CB A:LYS45 4.8 26.4 1.0

Reference:

E.Carletti, J.-P.Colletier, L.M.Schopfer, G.Santoni, P.Masson, O.Lockridge, F.Nachon, M.Weik. Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed By X-Ray Crystallographic Snapshots and Mass Spectrometry Chem.Res.Toxicol. V. 26 280 2013.
ISSN: ISSN 0893-228X
PubMed: 23339663
DOI: 10.1021/TX3004505
Page generated: Sun Jul 21 09:57:39 2024

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