Magnesium in PDB 1mq8: Crystal Structure of Alphal I Domain in Complex with Icam-1

The structure of Crystal Structure of Alphal I Domain in Complex with Icam-1, PDB code: 1mq8 was solved by M.Shimaoka, T.Xiao, J.-H.Liu, Y.Yang, Y.Dong, C.-D.Jun, A.Mccormack, R.Zhang, A.Joachimiak, J.Takagi, J.-H.Wang, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.560, 62.868, 81.517, 95.39, 106.67, 90.00
R / Rfree (%)	26.4 / 31.3

The binding sites of Magnesium atom in the Crystal Structure of Alphal I Domain in Complex with Icam-1 (pdb code 1mq8). 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 Alphal I Domain in Complex with Icam-1, PDB code: 1mq8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Alphal I Domain in Complex with Icam-1


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 Alphal I Domain in Complex with Icam-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg901 b:95.4 occ:1.00 O B:HOH1 2.0 68.1 1.0 OG1 B:THR206 2.0 56.2 1.0 O B:HOH2 2.1 37.4 1.0 OG B:SER141 2.1 42.9 1.0 OG B:SER139 2.2 22.5 1.0 OE2 A:GLU34 2.2 25.9 1.0 CB B:SER139 3.0 22.5 1.0 CB B:SER141 3.1 42.9 1.0 CD A:GLU34 3.2 25.9 1.0 CB B:THR206 3.3 56.2 1.0 OE1 A:GLU34 3.5 25.9 1.0 OE2 B:GLU241 3.7 71.3 1.0 CG2 B:THR206 3.8 56.2 1.0 N B:SER141 4.0 38.2 1.0 CA B:SER141 4.1 38.2 1.0 OD2 B:ASP239 4.2 98.7 1.0 CA B:SER139 4.4 60.1 1.0 OD1 B:ASP137 4.4 29.3 1.0 CD B:GLU241 4.4 71.3 1.0 O B:LEU205 4.4 41.4 1.0 OD2 B:ASP137 4.4 29.3 1.0 CA B:THR206 4.5 49.7 1.0 OD1 B:ASP239 4.5 98.7 1.0 O B:GLU241 4.5 69.5 1.0 C B:LEU205 4.5 41.4 1.0 CG A:GLU34 4.5 25.9 1.0 C B:SER139 4.5 60.1 1.0 N B:THR206 4.6 49.7 1.0 CG B:ASP239 4.7 98.7 1.0 N B:MET140 4.7 25.1 1.0 CG B:ASP137 4.9 29.3 1.0 O B:SER139 4.9 60.1 1.0 O B:LEU204 4.9 51.8 1.0 C B:SER141 5.0 38.2 1.0 CG B:GLU241 5.0 71.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Alphal I Domain in Complex with Icam-1


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 Alphal I Domain in Complex with Icam-1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg902 b:95.4 occ:1.00 O D:HOH3 2.0 68.1 1.0 OG D:SER141 2.0 42.9 1.0 OG1 D:THR206 2.1 56.2 1.0 O D:HOH4 2.2 37.4 1.0 OG D:SER139 2.2 22.5 1.0 OE2 C:GLU34 2.3 25.9 1.0 CB D:SER139 3.0 22.5 1.0 CB D:SER141 3.1 42.9 1.0 CD C:GLU34 3.2 25.9 1.0 CB D:THR206 3.4 56.2 1.0 OE1 C:GLU34 3.5 25.9 1.0 OE2 D:GLU241 3.7 71.3 1.0 CG2 D:THR206 3.9 56.2 1.0 N D:SER141 4.0 38.2 1.0 CA D:SER141 4.1 38.2 1.0 OD2 D:ASP239 4.1 98.7 1.0 CA D:SER139 4.4 60.1 1.0 OD1 D:ASP137 4.4 29.3 1.0 CD D:GLU241 4.4 71.3 1.0 O D:LEU205 4.4 41.4 1.0 OD2 D:ASP137 4.4 29.3 1.0 OD1 D:ASP239 4.5 98.7 1.0 O D:GLU241 4.5 69.5 1.0 CA D:THR206 4.5 49.7 1.0 C D:SER139 4.5 60.1 1.0 CG C:GLU34 4.5 25.9 1.0 C D:LEU205 4.5 41.4 1.0 N D:THR206 4.6 49.7 1.0 CG D:ASP239 4.7 98.7 1.0 N D:MET140 4.7 25.1 1.0 CG D:ASP137 4.9 29.3 1.0 O D:SER139 4.9 60.1 1.0 C D:SER141 4.9 38.2 1.0 O D:LEU204 4.9 51.8 1.0 CG D:GLU241 5.0 71.3 1.0

M.Shimaoka, T.Xiao, J.-H.Liu, Y.Yang, Y.Dong, C.-D.Jun, A.Mccormack, R.Zhang, A.Joachimiak, J.Takagi, J.-H.Wang, T.A.Springer. Structures of the Al I Domain and Its Complex with Icam-1 Reveal A Shape-Shifting Pathway For Integrin Regulation Cell(Cambridge,Mass.) V. 112 99 2003.
ISSN: ISSN 0092-8674
PubMed: 12526797
DOI: 10.1016/S0092-8674(02)01257-6