Potassium in PDB 4axb: Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam

All present enzymatic activity of Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam:
3.1.1.8;

The structure of Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam, PDB code: 4axb was solved by M.Wandhammer, M.De Koning, D.Noort, M.Goeldner, F.Nachon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	110.27 / 2.40
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	155.950, 155.950, 127.900, 90.00, 90.00, 90.00
R / Rfree (%)	16.808 / 22.117

The structure of Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Potassium atom in the Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam (pdb code 4axb). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam, PDB code: 4axb:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam within 5.0Å range: probe atom residue distance (Å) B Occ A:K1530 b:63.8 occ:1.00 O A:HOH2269 2.8 40.6 1.0 OH A:TYR420 3.1 24.1 1.0 O A:HOH2208 3.4 53.1 1.0 NH1 A:ARG515 3.8 33.0 1.0 CZ A:TYR420 4.2 27.6 1.0 O A:HOH2331 4.2 41.5 1.0 CE A:LYS323 4.3 39.8 1.0 O2 A:SO41531 4.3 79.6 1.0 CG A:LYS323 4.3 25.4 1.0 NH2 A:ARG515 4.4 26.1 1.0 CE2 A:TYR420 4.4 23.1 1.0 CZ A:ARG515 4.5 34.0 1.0 CD A:LYS323 4.6 33.2 1.0 NZ A:LYS323 4.6 45.9 1.0 O A:HOH2324 4.7 41.2 1.0 O A:HOH2339 4.8 66.0 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with 2-Pam within 5.0Å range: probe atom residue distance (Å) B Occ A:K1538 b:0.2 occ:1.00 CE1 A:PHE525 3.5 54.1 1.0 CZ A:PHE525 3.7 51.3 1.0 CD1 A:PHE525 3.8 53.3 1.0 CE2 A:PHE525 4.3 50.1 1.0 CG A:PHE525 4.4 49.1 1.0 CZ A:PHE364 4.5 29.2 1.0 CD2 A:PHE525 4.6 46.0 1.0

M.Wandhammer, M.De Koning, M.Van Grol, M.Loiodice, L.Saurel, D.Noort, M.Goeldner, F.Nachon. A Step Toward the Reactivation of Aged Cholinesterases - Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase Chem.Biol.Interact V. 203 19 2013.
ISSN: ISSN 0009-2797
PubMed: 22922115
DOI: 10.1016/J.CBI.2012.08.005