Magnesium in PDB 2wnl: Crystal Structure of Aplysia Achbp in Complex with Anabaseine

The structure of Crystal Structure of Aplysia Achbp in Complex with Anabaseine, PDB code: 2wnl was solved by G.Sulzenbacher, R.Hibbs, J.Shi, T.Talley, S.Conrod, W.Kem, P.Taylor, P.Marchot, Y.Bourne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	258.20 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.251, 125.768, 257.001, 90.00, 95.40, 90.00
R / Rfree (%)	20.2 / 25.1

The binding sites of Magnesium atom in the Crystal Structure of Aplysia Achbp in Complex with Anabaseine (pdb code 2wnl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Aplysia Achbp in Complex with Anabaseine, PDB code: 2wnl:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Aplysia Achbp in Complex with Anabaseine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Aplysia Achbp in Complex with Anabaseine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1209 b:34.8 occ:1.00 NE2 C:HIS187 1.9 54.4 1.0 O C:HOH2029 1.9 20.0 1.0 O C:HOH2030 2.0 24.8 1.0 CE1 C:HIS187 2.5 54.5 1.0 CD2 C:HIS187 3.1 54.2 1.0 ND1 C:HIS187 3.8 54.1 1.0 CG C:HIS187 4.1 54.2 1.0 CB C:PRO194 4.3 46.0 1.0 CG C:PRO194 4.3 47.5 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Aplysia Achbp in Complex with Anabaseine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Aplysia Achbp in Complex with Anabaseine within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1209 b:45.7 occ:1.00 NE2 H:HIS187 1.8 70.9 1.0 O H:HOH2023 1.9 27.2 1.0 O H:HOH2024 2.1 20.3 1.0 CE1 H:HIS187 2.6 71.0 1.0 CD2 H:HIS187 2.9 70.4 1.0 ND1 H:HIS187 3.7 70.7 1.0 CG H:HIS187 3.9 70.3 1.0 CB H:PRO194 4.4 59.4 1.0 CG H:PRO194 4.8 59.6 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Aplysia Achbp in Complex with Anabaseine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Aplysia Achbp in Complex with Anabaseine within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg1209 b:60.4 occ:1.00 OE2 E:GLU71 2.1 74.1 1.0 CD E:GLU71 2.9 69.7 1.0 OE1 E:GLU71 3.1 69.6 1.0 CG E:GLU71 4.3 68.5 1.0

R.E.Hibbs, G.Sulzenbacher, J.Shi, T.T.Talley, S.Conrod, W.R.Kem, P.Taylor, P.Marchot, Y.Bourne. Structural Determinants For Interaction of Partial Agonists with Acetylcholine Binding Protein and Neuronal ALPHA7 Nicotinic Acetylcholine Receptor. Embo J. V. 28 3040 2009.
ISSN: ESSN 1460-2075
PubMed: 19696737
DOI: 10.1038/EMBOJ.2009.227