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Chlorine 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
Bromine (Br) 1 atom
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr, PDB code: 2xqg:

Chlorine binding site 1 out of 1 in 2xqg

Go back to Chlorine Binding Sites List in 2xqg
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1566

b:64.9
occ:1.00
O A:HOH2175 3.9 14.8 1.0
CD1 A:ILE510 4.1 28.7 0.5
NZ A:LYS499 4.6 32.5 1.0
CG2 A:ILE510 4.7 29.2 0.5
CG2 A:ILE510 4.7 29.1 0.5
O A:HOH2394 4.8 11.2 1.0
CB A:ILE510 4.8 30.5 0.5
CB A:ILE510 4.8 30.7 0.5

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: Sat Dec 12 09:26:41 2020

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