Chlorine in PDB 1p0m: Crystal Structure of Human Butyryl Cholinesterase in Complex with A Choline Molecule

All present enzymatic activity of Crystal Structure of Human Butyryl Cholinesterase in Complex with A Choline Molecule:
3.1.1.8;

The structure of Crystal Structure of Human Butyryl Cholinesterase in Complex with A Choline Molecule, PDB code: 1p0m was solved by Y.Nicolet, O.Lockridge, P.Masson, J.C.Fontecilla-Camps, F.Nachon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.43 / 2.38
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	154.657, 154.657, 128.570, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 24.4

The binding sites of Chlorine atom in the Crystal Structure of Human Butyryl Cholinesterase in Complex with A Choline Molecule (pdb code 1p0m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Butyryl Cholinesterase in Complex with A Choline Molecule, PDB code: 1p0m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Butyryl Cholinesterase in Complex with A Choline Molecule


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 Human Butyryl Cholinesterase in Complex with A Choline Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:70.2 occ:0.50 OE1 A:GLU80 3.9 49.0 1.0 O A:HOH915 3.9 59.3 1.0 CD A:GLU80 4.4 49.6 1.0 OD1 A:ASN83 4.6 46.6 1.0 CG A:GLU80 4.9 43.2 1.0 CG2 A:ILE69 5.0 53.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Butyryl Cholinesterase in Complex with A Choline Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Butyryl Cholinesterase in Complex with A Choline Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:58.4 occ:0.50 CG2 A:THR508 3.3 73.5 1.0 O A:HOH957 3.6 75.8 1.0 N A:THR488 3.7 63.8 1.0 OG1 A:THR488 3.9 61.2 1.0 OG1 A:THR508 4.0 71.4 1.0 CA A:SER487 4.0 67.7 1.0 CB A:THR508 4.3 67.2 1.0 C A:SER487 4.4 66.6 1.0 CB A:THR488 4.5 60.0 1.0 CB A:SER487 4.5 64.2 1.0 O A:GLN486 4.6 73.0 1.0 CA A:THR488 4.7 58.8 1.0 N A:THR508 4.7 65.5 1.0 OG A:SER487 4.8 72.5 1.0

Y.Nicolet, O.Lockridge, P.Masson, J.C.Fontecilla-Camps, F.Nachon. Crystal Structure of Human Butyrylcholinesterase and of Its Complexes with Substrate and Products. J.Biol.Chem. V. 278 41141 2003.
ISSN: ISSN 0021-9258
PubMed: 12869558
DOI: 10.1074/JBC.M210241200