Chlorine in PDB 1xlv: Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate

All present enzymatic activity of Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate:
3.1.1.8;

The structure of Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate, PDB code: 1xlv was solved by F.Nachon, O.A.Asojo, G.E.O.Borgstahl, P.Masson, O.Lockridge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.25
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	154.587, 154.587, 126.706, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 24.7

The binding sites of Chlorine atom in the Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate (pdb code 1xlv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate, PDB code: 1xlv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:75.0 occ:1.00 OH A:TYR420 2.9 38.4 1.0 CZ A:TYR420 3.8 38.0 1.0 CE2 A:TYR420 3.9 37.1 1.0 NH2 A:ARG515 4.0 47.6 1.0 CG A:LYS323 4.0 39.9 1.0 CE A:LYS323 4.0 51.9 1.0 O A:HOH1221 4.2 47.6 1.0 NH1 A:ARG515 4.3 44.7 1.0 CD A:LYS323 4.4 43.0 1.0 CZ A:ARG515 4.5 47.9 1.0

Chlorine binding site 2 out of 3 in the Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:65.4 occ:1.00 O A:HOH1274 3.4 49.7 1.0 CG2 A:THR508 3.6 57.9 1.0 OG1 A:THR508 3.7 58.6 1.0 OG1 A:THR488 3.8 53.1 1.0 N A:THR488 4.0 53.2 1.0 O A:HOH1317 4.2 57.2 1.0 CA A:SER487 4.2 55.4 1.0 N A:THR508 4.2 57.5 1.0 CB A:THR508 4.3 56.3 1.0 OG A:SER487 4.5 57.3 1.0 O A:HOH1160 4.5 50.7 1.0 CB A:SER487 4.5 55.3 1.0 CB A:THR488 4.6 51.8 1.0 C A:SER487 4.7 54.2 1.0 O A:GLN486 4.8 58.1 1.0 CA A:THR508 4.8 56.5 1.0 CA A:THR488 5.0 51.6 1.0

Chlorine binding site 3 out of 3 in the Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction with Echothiophate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:73.5 occ:1.00 N A:GLU363 3.4 50.2 0.5 N A:GLU363 3.5 50.0 0.5 CA A:SER362 3.9 50.6 1.0 CB A:GLU363 3.9 50.6 0.5 CB A:SER362 4.1 50.8 1.0 C A:SER362 4.2 50.4 1.0 CA A:GLU363 4.4 50.3 0.5 CB A:GLU363 4.4 49.8 0.5 CA A:GLU363 4.6 49.6 0.5 OE2 A:GLU363 4.7 46.1 0.5

F.Nachon, O.A.Asojo, G.E.O.Borgstahl, P.Masson, O.Lockridge. Role of Water in Aging of Human Butyrylcholinesterase Inhibited By Echothiophate: the Crystal Structure Suggests Two Alternative Mechanisms of Aging Biochemistry V. 44 1154 2005.
ISSN: ISSN 0006-2960
PubMed: 15667209
DOI: 10.1021/BI048238D