Magnesium in PDB 2as8: Crystal Structure of Mature and Fully Active Der P 1 Allergen

The structure of Crystal Structure of Mature and Fully Active Der P 1 Allergen, PDB code: 2as8 was solved by S.De Halleux, E.Stura, L.Vanderelst, V.Carlier, M.Jacquemin, J.-M.Saint-Remy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.60 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.120, 78.430, 83.774, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 25.2

The binding sites of Magnesium atom in the Crystal Structure of Mature and Fully Active Der P 1 Allergen (pdb code 2as8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Mature and Fully Active Der P 1 Allergen, PDB code: 2as8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Mature and Fully Active Der P 1 Allergen


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 Mature and Fully Active Der P 1 Allergen within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:15.6 occ:1.00 OD2 A:ASP56 2.3 23.1 1.0 O A:LEU57 2.3 18.5 1.0 O A:HOH1027 2.4 21.9 1.0 O A:HOH1264 2.4 45.8 1.0 OE2 A:GLU59 2.5 20.3 1.0 OE2 A:GLU91 2.5 29.0 1.0 CD A:GLU59 3.4 15.7 1.0 CD A:GLU91 3.4 25.9 1.0 C A:LEU57 3.5 19.0 1.0 CG A:ASP56 3.5 23.4 1.0 O A:HOH1316 3.5 50.5 1.0 OE1 A:GLU59 3.6 18.0 1.0 N A:LEU57 3.9 19.9 1.0 CB A:GLU91 3.9 22.4 1.0 CG A:GLU91 3.9 23.2 1.0 OE2 A:GLU44 4.2 16.7 1.0 C A:ASP56 4.2 21.0 1.0 OD1 A:ASP56 4.2 28.4 1.0 NE A:ARG26 4.3 19.2 1.0 O A:HOH1041 4.3 26.0 1.0 CA A:LEU57 4.3 19.3 1.0 N A:GLU59 4.4 19.4 1.0 OE1 A:GLU91 4.4 25.3 1.0 N A:ALA58 4.4 18.3 1.0 CA A:ALA58 4.5 19.0 1.0 CA A:ASP56 4.6 21.5 1.0 CB A:ASP56 4.7 22.4 1.0 O A:ASP56 4.7 20.5 1.0 CZ A:ARG26 4.7 22.6 1.0 O A:HOH1045 4.8 18.2 1.0 CG A:GLU59 4.8 16.9 1.0 NH2 A:ARG26 4.8 23.2 1.0 CA A:GLU91 4.8 22.4 1.0 CD A:ARG26 4.8 20.6 1.0 CG1 A:VAL40 5.0 16.5 1.0 C A:ALA58 5.0 19.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mature and Fully Active Der P 1 Allergen


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 Mature and Fully Active Der P 1 Allergen within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:14.5 occ:1.00 OD2 B:ASP56 2.3 19.8 1.0 OE2 B:GLU91 2.3 27.1 1.0 O B:HOH2081 2.4 29.3 1.0 O B:LEU57 2.4 19.1 1.0 O B:HOH2041 2.5 17.2 1.0 OE2 B:GLU59 2.5 19.9 1.0 CD B:GLU91 3.3 24.4 1.0 CD B:GLU59 3.3 17.9 1.0 OE1 B:GLU59 3.5 19.1 1.0 CG B:ASP56 3.5 22.9 1.0 C B:LEU57 3.5 18.9 1.0 O B:HOH2077 3.6 27.9 1.0 CG B:GLU91 3.9 22.5 1.0 N B:LEU57 3.9 20.0 1.0 CB B:GLU91 4.0 21.8 1.0 OD1 B:ASP56 4.1 22.8 1.0 OE1 B:GLU91 4.2 24.0 1.0 C B:ASP56 4.2 20.7 1.0 O B:HOH2096 4.2 32.7 1.0 NE B:ARG26 4.2 17.2 1.0 OE2 B:GLU44 4.3 18.5 1.0 CA B:LEU57 4.4 19.2 1.0 N B:GLU59 4.4 20.4 1.0 N B:ALA58 4.5 19.0 1.0 CA B:ALA58 4.5 19.6 1.0 CA B:ASP56 4.6 21.4 1.0 CB B:ASP56 4.6 21.7 1.0 CZ B:ARG26 4.7 18.5 1.0 CD B:ARG26 4.7 19.4 1.0 CG B:GLU59 4.7 18.7 1.0 O B:ASP56 4.8 19.6 1.0 NH2 B:ARG26 4.8 17.6 1.0 O B:HOH2008 4.9 20.6 1.0 CA B:GLU91 4.9 21.5 1.0 CG1 B:VAL40 5.0 19.8 1.0 C B:ALA58 5.0 20.2 1.0

S.De Halleux, E.Stura, L.Vanderelst, V.Carlier, M.Jacquemin, J.-M.Saint-Remy. Three-Dimensional Structure and Ige-Binding Properties of Mature Fully Active Der P 1, A Clinically Relevant Major Allergen J.Allergy Clin.Immunol. V. 117 571 2006.
ISSN: ISSN 0091-6749
PubMed: 16522455
DOI: 10.1016/J.JACI.2005.11.032