Sodium in PDB 2xqg: 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;

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

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
Chlorine	(Cl)	1 atom

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium where determined in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr, PDB code: 2xqg:
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 Racemic Vr


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 Racemic Vr within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1555 b:60.3 occ:0.50 CZ A:PHE525 3.4 63.6 1.0 CE1 A:PHE525 3.5 64.4 1.0 CE2 A:PHE525 3.6 58.8 1.0 CD1 A:PHE525 3.9 62.9 1.0 CD2 A:PHE525 3.9 56.0 1.0 CG A:PHE525 4.0 56.4 1.0 CE1 A:HIS372 4.2 32.1 0.5 CZ A:PHE364 4.5 33.3 1.0 CB A:SER368 4.7 33.3 1.0 NE2 A:HIS372 5.0 30.4 0.5

Sodium binding site 2 out of 2 in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Racemic Vr


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 Racemic Vr within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1567 b:63.1 occ:1.00 O A:HOH2290 3.2 31.6 1.0 OH A:TYR385 3.2 47.7 1.0 CE2 A:TYR385 4.0 41.0 1.0 CZ A:TYR385 4.1 40.2 1.0 NE1 A:TRP376 4.1 60.1 1.0 OE1 A:GLN380 4.7 80.4 1.0 CG A:GLN380 4.7 79.5 1.0 CD1 A:TRP376 4.9 64.8 1.0 CD A:GLN380 5.0 78.7 1.0 CE2 A:TRP376 5.0 55.1 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