Chlorine in PDB 1p0i: Crystal Structure of Human Butyryl Cholinesterase

All present enzymatic activity of Crystal Structure of Human Butyryl Cholinesterase:
3.1.1.8;

The structure of Crystal Structure of Human Butyryl Cholinesterase, PDB code: 1p0i 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)	55.20 / 2.00
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	154.660, 154.660, 127.890, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 22.5

The binding sites of Chlorine atom in the Crystal Structure of Human Butyryl Cholinesterase (pdb code 1p0i). 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, PDB code: 1p0i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Butyryl Cholinesterase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:58.9 occ:0.50 O A:HOH967 2.7 50.6 1.0 OE1 A:GLU80 3.7 38.5 1.0 O A:HOH966 4.0 46.9 1.0 O A:HOH911 4.2 41.8 1.0 CD A:GLU80 4.4 40.9 1.0 ND2 A:ASN83 4.5 27.7 1.0 O A:HOH874 4.7 55.8 1.0 CG A:GLU80 4.9 34.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Butyryl Cholinesterase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:60.0 occ:1.00 CG2 A:THR508 2.9 52.6 1.0 O A:HOH1049 3.1 39.8 1.0 OG1 A:THR488 3.7 39.9 1.0 N A:THR488 3.8 43.8 1.0 OG1 A:THR508 3.9 52.7 1.0 O A:HOH769 3.9 57.0 1.0 CB A:THR508 4.0 46.2 1.0 CA A:SER487 4.0 42.8 1.0 O A:HOH1053 4.3 51.9 1.0 CB A:SER487 4.3 41.2 1.0 C A:SER487 4.4 42.0 1.0 CB A:THR488 4.5 35.7 1.0 O A:HOH1105 4.5 42.9 1.0 OG A:SER487 4.5 43.1 1.0 N A:THR508 4.7 42.7 1.0 CA A:THR488 4.7 34.8 1.0 O A:GLN486 4.8 49.1 1.0 CA A:THR508 5.0 45.2 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