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Calcium in PDB 2xqk: X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(S)

Enzymatic activity of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(S)

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

Protein crystallography data

The structure of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(S), PDB code: 2xqk 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) 41.53 / 2.40
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.920, 154.920, 127.390, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 21.7

Other elements in 2xqk:

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

Sodium (Na) 1 atom
Chlorine (Cl) 2 atoms
Potassium (K) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(S) (pdb code 2xqk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(S), PDB code: 2xqk:

Calcium binding site 1 out of 1 in 2xqk

Go back to Calcium Binding Sites List in 2xqk
Calcium binding site 1 out of 1 in the X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(S)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Human Butyrylcholinesterase Inhibited By Pure Enantiomer Vx-(S) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1534

b:79.7
occ:1.00
 O A:HOH2246 2.5 26.7 1.0
OE1 A:GLU443 3.2 34.2 1.0
O A:HOH2005 3.3 40.4 1.0
OE2 A:GLU443 3.6 38.9 1.0
CD A:GLU443 3.8 37.0 1.0
CE2 A:TYR440 3.9 31.6 1.0
CE A:MET81 4.0 35.0 1.0
SD A:MET81 4.1 40.6 1.0
CD2 A:TYR440 4.2 32.4 1.0
CD A:PRO429 4.7 38.0 1.0
NE2 A:HIS77 4.9 46.9 1.0
OH A:TYR456 4.9 34.5 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: Fri Jul 12 19:13:51 2024

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