Chlorine in PDB 1p0p: Crystal Structure of Soman-Aged Human Butyryl Cholinesterase in Complex with the Substrate Analog Butyrylthiocholine

All present enzymatic activity of Crystal Structure of Soman-Aged Human Butyryl Cholinesterase in Complex with the Substrate Analog Butyrylthiocholine:
3.1.1.8;

The structure of Crystal Structure of Soman-Aged Human Butyryl Cholinesterase in Complex with the Substrate Analog Butyrylthiocholine, PDB code: 1p0p 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)	54.77 / 2.30
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	154.924, 154.924, 127.909, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.2

The binding sites of Chlorine atom in the Crystal Structure of Soman-Aged Human Butyryl Cholinesterase in Complex with the Substrate Analog Butyrylthiocholine (pdb code 1p0p). 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 Soman-Aged Human Butyryl Cholinesterase in Complex with the Substrate Analog Butyrylthiocholine, PDB code: 1p0p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Soman-Aged Human Butyryl Cholinesterase in Complex with the Substrate Analog Butyrylthiocholine


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 Soman-Aged Human Butyryl Cholinesterase in Complex with the Substrate Analog Butyrylthiocholine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:51.8 occ:1.00 CG2 A:THR508 3.1 46.5 1.0 O A:HOH905 3.4 44.6 1.0 OG1 A:THR488 3.7 35.8 1.0 OG1 A:THR508 3.7 43.9 1.0 O A:HOH1020 3.7 52.2 0.5 N A:THR488 3.8 35.8 1.0 CB A:THR508 4.0 37.3 1.0 CA A:SER487 4.2 42.9 1.0 N A:THR508 4.4 43.3 1.0 CB A:THR488 4.5 29.5 1.0 C A:SER487 4.5 39.6 1.0 CB A:SER487 4.7 43.8 1.0 CA A:THR488 4.7 26.3 1.0 O A:GLN486 4.8 54.6 1.0 CA A:THR508 4.8 42.1 1.0 O A:THR508 5.0 40.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Soman-Aged Human Butyryl Cholinesterase in Complex with the Substrate Analog Butyrylthiocholine


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 Soman-Aged Human Butyryl Cholinesterase in Complex with the Substrate Analog Butyrylthiocholine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:27.9 occ:0.50 CA A:PHE364 4.1 27.5 1.0 CB A:GLU367 4.1 34.7 1.0 CG A:GLU367 4.2 43.8 1.0 CD2 A:PHE364 4.2 23.1 1.0 CB A:PHE364 4.4 28.2 1.0 N A:PHE364 4.7 28.3 1.0 CG A:PHE364 4.8 28.1 1.0 O A:GLU363 4.9 41.5 1.0 CD A:GLU367 4.9 45.2 0.5

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