Sodium in PDB 2xqj: X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R)

All present enzymatic activity of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R):
3.1.1.8;

The structure of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R), PDB code: 2xqj 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)	49.27 / 2.40
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	155.820, 155.820, 128.280, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 22.3

The structure of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R) also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Calcium	(Ca)	2 atoms
Potassium	(K)	1 atom
Magnesium	(Mg)	1 atom

The binding sites of Sodium atom in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R) (pdb code 2xqj). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R), PDB code: 2xqj:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1533 b:47.8 occ:1.00 O A:HOH2259 2.4 22.6 1.0 OE1 A:GLU443 3.0 31.5 1.0 O A:HOH2007 3.3 37.3 1.0 OE2 A:GLU443 3.5 38.8 1.0 CD A:GLU443 3.7 36.8 1.0 CE2 A:TYR440 3.7 28.1 1.0 CE A:MET81 3.9 30.4 1.0 CD2 A:TYR440 4.0 28.9 1.0 SD A:MET81 4.0 36.3 1.0 CD A:PRO429 4.6 38.8 1.0 OH A:TYR456 4.9 33.4 1.0 CZ A:TYR440 5.0 30.8 1.0

Sodium binding site 2 out of 2 in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(R) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1548 b:74.2 occ:1.00 O A:HOH2015 3.7 27.1 1.0 O A:HOH2096 4.0 32.6 1.0 CE2 A:PHE329 4.5 31.7 1.0 CZ A:TYR332 4.5 38.5 1.0 O A:HOH2204 4.5 25.4 1.0 CE1 A:TYR332 4.6 34.9 1.0 CD2 A:PHE329 4.6 31.2 1.0 CE2 A:TYR332 4.8 38.8 1.0 OH A:TYR332 4.8 36.0 1.0 CD1 A:TYR332 4.9 33.6 1.0

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