Magnesium in PDB 4alx: Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe

The structure of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe, PDB code: 4alx was solved by A.Shahsavar, J.S.Kastrup, E.O.Nielsen, J.L.Kristensen, M.Gajhede, T.Balle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.16 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	119.249, 121.308, 152.074, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 25

The binding sites of Magnesium atom in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe (pdb code 4alx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe, PDB code: 4alx:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


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 Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1207 b:51.2 occ:1.00 OD2 B:ASP2 2.6 52.0 1.0 OD2 I:ASP2 2.7 56.6 1.0 O B:HOH2058 2.9 43.8 1.0 CG B:ASP2 3.3 41.6 1.0 OD1 B:ASP2 3.6 46.8 1.0 CG I:ASP2 3.6 42.7 1.0 OD2 B:ASP5 3.7 50.9 1.0 OD1 I:ASP2 4.1 46.5 1.0 OD1 B:ASP5 4.2 49.1 1.0 CG B:ASP5 4.3 43.5 1.0 CB B:ASP2 4.5 32.3 1.0 OD2 I:ASP5 4.7 49.0 1.0 CB I:ASP2 4.8 40.0 1.0

Magnesium binding site 2 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


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 Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1205 b:62.5 occ:1.00 O D:HOH2086 2.9 32.2 1.0 O D:HOH2087 3.2 38.3 1.0 O D:TYR164 3.4 30.8 1.0 O C:HOH2058 3.4 40.8 1.0 CG2 D:ILE36 3.9 20.4 1.0 O C:TYR89 4.2 25.6 1.0 O C:HOH2018 4.4 40.9 1.0 C D:TYR164 4.5 26.7 1.0 CZ2 D:TRP53 4.8 23.8 1.0 C C:TYR89 4.9 25.1 1.0 CB D:TYR164 4.9 23.7 1.0 CH2 D:TRP53 4.9 23.2 1.0 O C:HOH2051 4.9 33.4 1.0 CB C:ASN90 5.0 22.1 1.0

Magnesium binding site 3 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


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 Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1206 b:46.0 occ:1.00 O D:HOH2088 2.7 40.9 1.0 OG D:SER162 3.8 30.4 1.0 O D:SER162 3.8 34.9 1.0 OD2 D:ASP160 4.0 35.1 1.0 O D:GLU163 4.1 29.4 1.0 C D:SER162 4.3 27.9 1.0 O D:HOH2071 4.4 33.9 1.0 CA D:GLU163 4.4 23.0 1.0 N D:GLU163 4.6 34.2 1.0 C D:GLU163 4.6 22.3 1.0 CB D:SER162 4.8 30.2 1.0 CG D:ASP160 4.9 36.2 1.0 OD1 D:ASP160 4.9 44.6 1.0

Magnesium binding site 4 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg1207 b:60.9 occ:1.00 OD2 F:ASP108 2.7 52.1 1.0 O F:HOH2053 3.1 43.9 1.0 CG F:ASP108 3.8 38.6 1.0 OE1 F:GLU110 4.2 54.4 1.0 OD1 F:ASP108 4.3 36.8 1.0 O F:HOH2009 4.7 37.6 1.0 CD F:GLU110 5.0 56.4 1.0

Magnesium binding site 5 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg1208 b:58.0 occ:1.00 OD2 F:ASP2 2.8 58.6 1.0 O E:HOH2001 2.9 48.2 1.0 OD2 E:ASP2 2.9 52.5 1.0 CG F:ASP2 3.4 45.9 1.0 O E:HOH2003 3.5 41.5 1.0 OD1 F:ASP2 3.6 41.6 1.0 OD2 F:ASP5 3.7 54.3 1.0 CG E:ASP2 3.9 44.4 1.0 OD1 F:ASP5 3.9 40.9 1.0 CG F:ASP5 4.1 44.4 1.0 OD1 E:ASP2 4.2 45.5 1.0 OD2 E:ASP5 4.5 44.0 1.0 OD1 E:ASP5 4.7 44.4 1.0 CB F:ASP2 4.7 32.2 1.0 CG E:ASP5 5.0 42.6 1.0

Magnesium binding site 6 out of 6 in the Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Ls-Achbp Complexed with the Potent Nachr Antagonist Dhbe within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg1207 b:56.4 occ:1.00 O J:HOH2001 2.8 44.2 1.0 OD2 J:ASP2 2.9 52.5 1.0 OD2 A:ASP2 2.9 58.6 1.0 OD2 J:ASP5 3.1 48.3 1.0 O J:HOH2003 3.3 39.1 1.0 CG J:ASP2 3.3 37.0 1.0 OD1 J:ASP2 3.5 45.7 1.0 CG J:ASP5 3.8 43.3 1.0 OD1 J:ASP5 3.8 42.1 1.0 CG A:ASP2 4.0 41.3 1.0 CB J:ASP2 4.4 33.8 1.0 OD1 A:ASP2 4.5 47.3 1.0 N J:ASP2 5.0 37.6 1.0

A.Shahsavar, J.S.Kastrup, E.O.Nielsen, J.L.Kristensen, M.Gajhede, T.Balle. Crystal Structure of Lymnaea Stagnalis Achbp Complexed with the Potent Nachr Antagonist Dh-Betab-E Suggests A Unique Mode of Antagonism Plos One V. 7 40757 2012.
ISSN: ESSN 1932-6203
PubMed: 22927902
DOI: 10.1371/JOURNAL.PONE.0040757