Magnesium in PDB 1pt6: I Domain From Human Integrin ALPHA1-BETA1

The structure of I Domain From Human Integrin ALPHA1-BETA1, PDB code: 1pt6 was solved by Y.Nymalm, J.S.Puranen, T.K.M.Nyholm, J.Kapyla, H.Kidron, O.Pentikainen, T.T.Airenne, J.Heino, J.P.Slotte, M.S.Johnson, T.A.Salminen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.25 / 1.87
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.471, 97.601, 53.094, 90.00, 103.63, 90.00
R / Rfree (%)	19.1 / 24

The binding sites of Magnesium atom in the I Domain From Human Integrin ALPHA1-BETA1 (pdb code 1pt6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the I Domain From Human Integrin ALPHA1-BETA1, PDB code: 1pt6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the I Domain From Human Integrin ALPHA1-BETA1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of I Domain From Human Integrin ALPHA1-BETA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg500 b:28.6 occ:1.00 O A:HOH604 2.0 30.7 1.0 OG A:SER154 2.0 21.2 1.0 OD1 A:ASP253 2.1 19.2 1.0 O A:HOH605 2.2 32.5 1.0 O A:HOH603 2.2 19.8 1.0 OG A:SER152 2.2 22.6 1.0 CG A:ASP253 3.1 20.0 1.0 CB A:SER154 3.3 19.9 1.0 CB A:SER152 3.3 20.9 1.0 OD2 A:ASP253 3.3 20.5 1.0 OG1 A:THR220 4.0 30.7 1.0 OD2 A:ASP150 4.1 19.7 1.0 O A:ASP253 4.2 20.2 1.0 C A:ASP253 4.2 20.4 1.0 CA A:SER154 4.4 19.9 1.0 OD1 A:ASP150 4.4 19.8 1.0 N A:GLY254 4.4 21.9 1.0 N A:SER154 4.4 20.2 1.0 CB A:ASP253 4.4 18.9 1.0 CA A:SER152 4.5 20.5 1.0 CA A:GLY254 4.6 23.0 1.0 O A:HOH641 4.7 32.1 1.0 CG A:ASP150 4.7 17.8 1.0 CG1 A:ILE155 4.7 17.8 1.0 CA A:ASP253 4.7 19.1 1.0 C A:SER152 4.7 21.2 1.0 N A:ILE155 4.9 18.7 1.0 C A:SER154 4.9 18.7 1.0 N A:ASP253 5.0 17.9 1.0 O A:SER152 5.0 20.9 1.0

Magnesium binding site 2 out of 2 in the I Domain From Human Integrin ALPHA1-BETA1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of I Domain From Human Integrin ALPHA1-BETA1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg500 b:26.8 occ:1.00 O B:HOH606 2.0 32.6 1.0 O B:HOH605 2.1 12.6 1.0 OG B:SER154 2.2 21.2 1.0 OD1 B:ASP253 2.2 16.8 1.0 OG B:SER152 2.2 20.6 1.0 O B:HOH604 2.3 20.5 1.0 CG B:ASP253 3.2 18.2 1.0 CB B:SER152 3.3 18.8 1.0 CB B:SER154 3.4 20.3 1.0 OD2 B:ASP253 3.4 18.0 1.0 OG1 B:THR220 3.8 26.6 1.0 O B:HOH668 4.1 31.8 1.0 OD2 B:ASP150 4.1 15.3 1.0 O B:ASP253 4.1 17.1 1.0 C B:ASP253 4.2 17.7 1.0 OD1 B:ASP150 4.3 17.9 1.0 N B:GLY254 4.4 18.2 1.0 CA B:SER154 4.5 20.1 1.0 CB B:ASP253 4.5 17.4 1.0 N B:SER154 4.5 20.3 1.0 O B:HOH740 4.5 43.2 1.0 CA B:SER152 4.6 18.2 1.0 CG B:ASP150 4.6 14.8 1.0 CA B:GLY254 4.6 19.1 1.0 CA B:ASP253 4.7 16.9 1.0 O B:HOH651 4.8 37.0 1.0 C B:SER152 4.8 18.9 1.0 N B:ILE155 4.9 19.2 1.0 CG1 B:ILE155 4.9 18.7 1.0 C B:SER154 5.0 19.4 1.0 O B:SER152 5.0 17.4 1.0 O B:HOH681 5.0 38.4 1.0 N B:ASP253 5.0 16.4 1.0

Y.Nymalm, J.S.Puranen, T.K.M.Nyholm, J.Kapyla, H.Kidron, T.T.Airenne, J.Heino, J.P.Slotte, M.S.Johnson, T.A.Salminen. Jararhagin-Derived Rkkh Peptides Induce Structural Changes in ALPHA1I Domain of Human Integrin ALPHA1BETA1. J.Biol.Chem. V. 279 7962 2004.
ISSN: ISSN 0021-9258
PubMed: 14660600
DOI: 10.1074/JBC.M312912200