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Fluorine in PDB 2xmc: G117H Mutant of Human Butyrylcholinesterase in Complex with Fluoride Anion

Enzymatic activity of G117H Mutant of Human Butyrylcholinesterase in Complex with Fluoride Anion

All present enzymatic activity of G117H Mutant of Human Butyrylcholinesterase in Complex with Fluoride Anion:
3.1.1.8;

Protein crystallography data

The structure of G117H Mutant of Human Butyrylcholinesterase in Complex with Fluoride Anion, PDB code: 2xmc was solved by F.Nachon, E.Carletti, M.Wandhammer, Y.Nicolet, L.M.Schopfer, P.Masson, O.Lockridge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 109.76 / 2.40
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 155.590, 155.590, 127.990, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 25.3

Other elements in 2xmc:

The structure of G117H Mutant of Human Butyrylcholinesterase in Complex with Fluoride Anion also contains other interesting chemical elements:

Potassium (K) 1 atom
Chlorine (Cl) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the G117H Mutant of Human Butyrylcholinesterase in Complex with Fluoride Anion (pdb code 2xmc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the G117H Mutant of Human Butyrylcholinesterase in Complex with Fluoride Anion, PDB code: 2xmc:

Fluorine binding site 1 out of 1 in 2xmc

Go back to Fluorine Binding Sites List in 2xmc
Fluorine binding site 1 out of 1 in the G117H Mutant of Human Butyrylcholinesterase in Complex with Fluoride Anion


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of G117H Mutant of Human Butyrylcholinesterase in Complex with Fluoride Anion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1530

b:34.4
occ:1.00
 OG A:SER198 2.5 32.5 1.0
O A:HOH2101 2.6 22.7 1.0
N A:HIS117 2.7 35.1 1.0
CB A:SER198 2.9 30.2 1.0
N A:GLY116 2.9 32.4 1.0
N A:ALA199 2.9 29.1 1.0
CB A:ALA199 3.4 26.4 1.0
C A:GLY116 3.6 35.7 1.0
CA A:HIS117 3.6 35.6 1.0
CA A:GLY116 3.7 34.4 1.0
CA A:ALA199 3.8 27.3 1.0
CD2 A:HIS117 3.8 47.3 1.0
C A:SER198 3.8 30.1 1.0
C A:GLY115 3.9 31.9 1.0
CA A:SER198 3.9 30.5 1.0
CA A:GLY115 3.9 30.2 1.0
CG A:HIS117 4.0 43.4 1.0
NE2 A:HIS117 4.1 52.8 1.0
UNK A:UNX1531 4.3 33.1 1.0
ND1 A:HIS117 4.4 47.4 1.0
CB A:HIS117 4.4 36.2 1.0
CE1 A:HIS117 4.5 50.0 1.0
O A:GLU197 4.7 32.9 1.0
O A:GLY116 4.7 35.8 1.0
NE2 A:HIS438 4.7 30.7 1.0
C A:HIS117 4.8 33.8 1.0
CH2 A:TRP231 4.9 27.7 1.0
N A:PHE118 4.9 31.8 1.0
CZ3 A:TRP231 4.9 28.1 1.0
UNK A:UNX1534 5.0 24.0 1.0
C A:ALA199 5.0 26.9 1.0
O A:SER198 5.0 32.5 1.0

Reference:

F.Nachon, E.Carletti, M.Wandhammer, Y.Nicolet, L.M.Schopfer, P.Masson, O.Lockridge. X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, A Nerve Agent Target Engineered Into A Catalytic Bioscavenge Biochem.J. V. 434 73 2011.
ISSN: ISSN 0264-6021
PubMed: 21091433
DOI: 10.1042/BJ20101648
Page generated: Wed Jul 31 16:39:29 2024

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