Magnesium in PDB 1qc5: I Domain From Integrin ALPHA1-BETA1

The structure of I Domain From Integrin ALPHA1-BETA1, PDB code: 1qc5 was solved by C.C.Deivanayagam, S.V.Narayana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.440, 96.350, 53.270, 90.00, 104.28, 90.00
R / Rfree (%)	20.6 / 24.3

The binding sites of Magnesium atom in the I Domain From Integrin ALPHA1-BETA1 (pdb code 1qc5). 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 Integrin ALPHA1-BETA1, PDB code: 1qc5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the I Domain From 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 Integrin ALPHA1-BETA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:31.8 occ:1.00 O A:HOH836 2.1 43.1 1.0 OG A:SER42 2.1 32.9 1.0 O A:HOH695 2.2 23.2 1.0 OG A:SER44 2.2 20.1 1.0 OD2 A:ASP143 2.2 16.4 1.0 O A:HOH835 2.2 28.0 1.0 CB A:SER42 2.7 25.4 1.0 CG A:ASP143 3.0 17.2 1.0 OD1 A:ASP143 3.1 16.6 1.0 CB A:SER44 3.3 22.1 1.0 O A:ASP143 3.9 18.7 1.0 CA A:SER42 4.1 24.1 1.0 OD2 A:ASP40 4.2 18.5 1.0 OG1 A:THR110 4.2 33.5 1.0 C A:ASP143 4.3 18.0 1.0 N A:SER44 4.3 22.2 1.0 CA A:SER44 4.4 20.8 1.0 O A:HOH819 4.4 37.8 1.0 O A:HOH809 4.4 35.2 1.0 CB A:ASP143 4.5 16.7 1.0 C A:SER42 4.6 23.3 1.0 OD1 A:ASP40 4.6 17.1 1.0 N A:GLY144 4.8 18.7 1.0 CG A:ASP40 4.8 16.8 1.0 N A:ILE45 4.8 18.7 1.0 CG1 A:ILE45 4.8 19.4 1.0 CA A:ASP143 4.9 16.6 1.0 C A:SER44 4.9 20.0 1.0 O A:HOH764 4.9 27.9 1.0 OG A:SER174 5.0 20.2 1.0 N A:ASN43 5.0 24.6 1.0 O A:SER42 5.0 22.2 1.0 CA A:GLY144 5.0 19.0 1.0

Magnesium binding site 2 out of 2 in the I Domain From 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 Integrin ALPHA1-BETA1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:42.2 occ:1.00 OD1 B:ASP443 2.1 14.3 1.0 O B:HOH837 2.1 32.9 1.0 OG B:SER342 2.2 30.1 1.0 OG B:SER344 2.2 21.9 1.0 O B:HOH700 2.2 19.1 1.0 O B:HOH838 2.2 47.3 1.0 CG B:ASP443 3.0 19.3 1.0 OD2 B:ASP443 3.2 19.0 1.0 CB B:SER342 3.3 25.6 1.0 CB B:SER344 3.4 22.9 1.0 O B:ASP443 4.0 18.2 1.0 C B:ASP443 4.1 17.8 1.0 OG1 B:THR410 4.3 31.1 1.0 CB B:ASP443 4.4 16.5 1.0 N B:GLY444 4.5 19.3 1.0 OD2 B:ASP340 4.5 21.8 1.0 CA B:SER344 4.5 22.4 1.0 O B:SER342 4.5 19.6 1.0 N B:SER344 4.5 23.3 1.0 CA B:SER342 4.6 23.7 1.0 CA B:GLY444 4.6 20.1 1.0 C B:SER342 4.7 23.2 1.0 OG B:SER474 4.7 21.0 1.0 CA B:ASP443 4.7 17.8 1.0 OD1 B:ASP340 4.8 20.0 1.0 N B:ILE345 4.9 20.5 1.0 N B:ASP443 5.0 15.6 1.0

R.L.Rich, C.C.Deivanayagam, R.T.Owens, M.Carson, A.Hook, D.Moore, J.Symersky, V.W.Yang, S.V.Narayana, M.Hook. Trench-Shaped Binding Sites Promote Multiple Classes of Interactions Between Collagen and the Adherence Receptors, Alpha(1)Beta(1) Integrin and Staphylococcus Aureus Cna Mscramm. J.Biol.Chem. V. 274 24906 1999.
ISSN: ISSN 0021-9258
PubMed: 10455165
DOI: 10.1074/JBC.274.35.24906