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Potassium in PDB 4b0p: Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with Methyl 2-(Pentafluorobenzyloxyimino) Pyridinium

Enzymatic activity of Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with Methyl 2-(Pentafluorobenzyloxyimino) Pyridinium

All present enzymatic activity of Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with Methyl 2-(Pentafluorobenzyloxyimino) Pyridinium:
3.1.1.8;

Protein crystallography data

The structure of Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with Methyl 2-(Pentafluorobenzyloxyimino) Pyridinium, PDB code: 4b0p was solved by M.Wandhammer, M.De Koning, M.Van Grol, 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) 30.878 / 2.50
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.230, 154.230, 133.860, 90.00, 90.00, 90.00
R / Rfree (%) 16.44 / 21.2

Other elements in 4b0p:

The structure of Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with Methyl 2-(Pentafluorobenzyloxyimino) Pyridinium also contains other interesting chemical elements:

Fluorine (F) 5 atoms
Calcium (Ca) 4 atoms
Chlorine (Cl) 4 atoms
Sodium (Na) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with Methyl 2-(Pentafluorobenzyloxyimino) Pyridinium (pdb code 4b0p). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with Methyl 2-(Pentafluorobenzyloxyimino) Pyridinium, PDB code: 4b0p:

Potassium binding site 1 out of 1 in 4b0p

Go back to Potassium Binding Sites List in 4b0p
Potassium binding site 1 out of 1 in the Crystal Structure of Soman-Aged Human Butyrylcholinesterase in Complex with Methyl 2-(Pentafluorobenzyloxyimino) Pyridinium


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 Methyl 2-(Pentafluorobenzyloxyimino) Pyridinium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1171

b:84.3
occ:1.00
 O A:HOH3021 2.8 51.0 1.0
O A:HOH3064 2.9 65.1 1.0
O2 A:SBG198 3.3 34.4 1.0
O A:HOH3101 3.7 51.8 1.0
CAG A:MF51179 3.8 59.9 1.0
CAO A:MF51179 3.9 47.7 1.0
NAV A:MF51179 4.1 47.2 1.0
CAA A:MF51179 4.1 55.6 1.0
P1 A:SBG198 4.3 27.1 1.0
CA A:GLY116 4.3 25.7 1.0
NAM A:MF51179 4.3 74.0 1.0
C A:GLY116 4.4 26.1 1.0
N A:GLY117 4.4 28.3 1.0
O1 A:SBG198 4.5 25.8 1.0
CAJ A:MF51179 4.6 42.0 1.0
C1 A:SBG198 4.6 22.1 1.0
CE1 A:PHE329 4.7 27.1 1.0
O A:HOH3066 4.7 35.1 1.0
CAP A:MF51179 4.8 71.3 1.0
CAK A:MF51179 4.8 48.0 1.0
CAR A:MF51179 4.8 72.8 1.0
CAQ A:MF51179 4.8 71.5 1.0
O A:GLY116 4.9 31.4 1.0
CAT A:MF51179 4.9 72.3 1.0
OAN A:MF51179 4.9 84.3 1.0
CAS A:MF51179 4.9 74.6 1.0
N A:GLY116 4.9 30.4 1.0
CAU A:MF51179 4.9 77.6 1.0
CZ A:PHE329 5.0 27.3 1.0

Reference:

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
Page generated: Sun Dec 13 23:26:27 2020

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