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Bromine in PDB 2xqg: X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr

Enzymatic activity of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr

All present enzymatic activity of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr:
3.1.1.8;

Protein crystallography data

The structure of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr, PDB code: 2xqg was solved by M.Wandhammer, E.Carletti, E.Gillon, P.Masson, M.Goeldner, D.Noort, F.Nachon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.51 / 2.30
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.600, 154.600, 127.610, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 21.5

Other elements in 2xqg:

The structure of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr also contains other interesting chemical elements:

Calcium (Ca) 3 atoms
Sodium (Na) 2 atoms
Chlorine (Cl) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr (pdb code 2xqg). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr, PDB code: 2xqg:

Bromine binding site 1 out of 1 in 2xqg

Go back to Bromine Binding Sites List in 2xqg
Bromine binding site 1 out of 1 in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1554

b:0.6
occ:1.00
NE2 A:GLN351 3.5 40.0 1.0
NH1 A:ARG347 3.7 53.2 1.0
NE A:ARG347 3.8 52.1 1.0
CZ A:ARG347 4.2 51.9 1.0
O A:HOH2277 4.4 36.1 1.0
CD A:GLN351 4.4 46.5 1.0
OE1 A:GLN351 4.6 46.5 1.0

Reference:

M.Wandhammer, E.Carletti, M.Van Der Schans, E.Gillon, Y.Nicolet, P.Masson, M.Goeldner, D.Noort, F.Nachon. Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase For the Neurotoxic V-Agents. J.Biol.Chem. V. 286 16783 2011.
ISSN: ISSN 0021-9258
PubMed: 21454498
DOI: 10.1074/JBC.M110.209569
Page generated: Wed Jul 10 19:02:21 2024

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