Magnesium in PDB 4a0q: Activated Conformation of Integrin ALPHA1 I-Domain Mutant

The structure of Activated Conformation of Integrin ALPHA1 I-Domain Mutant, PDB code: 4a0q was solved by M.Lahti, E.Bligt, H.Niskanen, V.Parkash, A.-M.Brandt, J.Jokinen, P.Patrikainen, J.Kapyla, J.Heino, T.A.Salminen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	95.470, 95.470, 37.719, 90.00, 90.00, 120.00
R / Rfree (%)	18.355 / 22.884

The binding sites of Magnesium atom in the Activated Conformation of Integrin ALPHA1 I-Domain Mutant (pdb code 4a0q). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Activated Conformation of Integrin ALPHA1 I-Domain Mutant, PDB code: 4a0q:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Activated Conformation of Integrin ALPHA1 I-Domain Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Activated Conformation of Integrin ALPHA1 I-Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg400 b:24.6 occ:1.00 O A:HOH2071 2.3 26.6 1.0 OG A:SER154 2.3 23.2 1.0 O A:HOH2004 2.3 17.7 1.0 OG A:SER152 2.3 19.6 1.0 O A:HOH2006 2.5 24.9 1.0 CB A:SER152 3.2 20.2 1.0 CB A:SER154 3.3 21.4 1.0 O A:HOH2009 3.8 31.4 1.0 OG1 A:THR220 3.8 27.0 1.0 O A:GLN219 3.8 24.0 1.0 N A:SER154 3.9 18.4 1.0 C A:GLN219 4.1 27.2 1.0 OD1 A:ASP253 4.1 25.9 1.0 CA A:SER154 4.2 19.9 1.0 C A:SER152 4.4 20.7 1.0 CA A:SER152 4.4 21.3 1.0 N A:THR220 4.4 25.6 1.0 OD2 A:ASP150 4.5 20.2 1.0 N A:ASN153 4.6 22.3 1.0 OD2 A:ASP253 4.6 26.6 1.0 OD1 A:ASP150 4.6 23.9 1.0 CA A:THR220 4.6 24.6 1.0 CA A:GLN219 4.6 28.1 1.0 N A:GLN219 4.7 27.3 1.0 O A:SER152 4.7 19.9 1.0 CB A:THR220 4.8 25.3 1.0 CG A:ASP253 4.8 26.6 1.0 O A:GLY217 4.9 23.1 1.0 C A:ARG218 4.9 28.6 1.0 CG A:ASP150 4.9 22.3 1.0 O A:HOH2003 4.9 18.3 1.0

Magnesium binding site 2 out of 2 in the Activated Conformation of Integrin ALPHA1 I-Domain Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Activated Conformation of Integrin ALPHA1 I-Domain Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg400 b:24.0 occ:1.00 O B:HOH2062 2.4 34.0 1.0 OG B:SER154 2.4 26.6 1.0 O B:HOH2004 2.4 13.8 1.0 OG B:SER152 2.4 18.7 1.0 O B:HOH2006 2.5 25.2 1.0 CB B:SER154 3.3 21.2 1.0 CB B:SER152 3.4 21.6 1.0 OG1 B:THR220 3.7 22.7 1.0 O B:GLN219 3.7 24.1 1.0 O B:HOH2009 3.8 32.8 1.0 N B:SER154 3.9 18.6 1.0 C B:GLN219 4.0 27.8 1.0 OD1 B:ASP253 4.1 25.0 1.0 CA B:SER154 4.2 19.2 1.0 N B:THR220 4.4 23.6 1.0 C B:SER152 4.4 23.3 1.0 OD2 B:ASP150 4.5 21.9 1.0 CA B:SER152 4.5 23.0 1.0 OD1 B:ASP150 4.5 22.2 1.0 CA B:THR220 4.6 23.3 1.0 N B:ASN153 4.6 22.0 1.0 OD2 B:ASP253 4.6 28.1 1.0 CA B:GLN219 4.7 27.9 1.0 N B:GLN219 4.7 26.2 1.0 O B:SER152 4.7 21.4 1.0 CB B:THR220 4.7 24.2 1.0 CG B:ASP253 4.8 26.5 1.0 O B:GLY217 4.8 23.9 1.0 O B:HOH2070 4.8 38.9 1.0 C B:ARG218 4.9 27.0 1.0 O B:HOH2003 4.9 18.5 1.0 CG B:ASP150 4.9 24.4 1.0

M.Lahti, E.Bligt, H.Niskanen, V.Parkash, A.M.Brandt, J.Jokinen, P.Patrikainen, J.Kapyla, J.Heino, T.A.Salminen. Structure of Collagen Receptor Integrin APLHA1I Domain Carrying the Activating Mutation E317A. J.Biol.Chem. V. 286 43343 2011.
ISSN: ISSN 0021-9258
PubMed: 22030389
DOI: 10.1074/JBC.M111.261909