Magnesium in PDB 1cqp: Crystal Structure Analysis of the Complex Lfa-1 (CD11A) I-Domain / Lovastatin at 2.6 A Resolution

The structure of Crystal Structure Analysis of the Complex Lfa-1 (CD11A) I-Domain / Lovastatin at 2.6 A Resolution, PDB code: 1cqp was solved by J.Kallen, K.Welzenbach, P.Ramage, D.Geyl, R.Kriwacki, G.Legge, S.Cottens, G.Weitz-Schmidt, U.Hommel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.700, 77.700, 91.800, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 25.7

The binding sites of Magnesium atom in the Crystal Structure Analysis of the Complex Lfa-1 (CD11A) I-Domain / Lovastatin at 2.6 A Resolution (pdb code 1cqp). 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 Analysis of the Complex Lfa-1 (CD11A) I-Domain / Lovastatin at 2.6 A Resolution, PDB code: 1cqp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure Analysis of the Complex Lfa-1 (CD11A) I-Domain / Lovastatin at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Analysis of the Complex Lfa-1 (CD11A) I-Domain / Lovastatin at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg310 b:23.2 occ:1.00 OG A:SER141 2.1 26.0 1.0 OG A:SER139 2.2 18.1 1.0 O A:HOH3 2.2 26.2 1.0 OD1 A:ASP239 2.4 25.5 1.0 O A:HOH17 2.5 37.0 1.0 CB A:SER139 3.0 16.3 1.0 CB A:SER141 3.3 16.4 1.0 CG A:ASP239 3.5 24.3 1.0 OG1 A:THR206 3.6 15.9 1.0 O A:HOH8 3.7 30.3 1.0 OD2 A:ASP239 3.9 33.6 1.0 N A:SER141 4.1 19.8 1.0 OD2 A:ASP137 4.2 11.3 1.0 OD1 A:ASP137 4.2 28.9 1.0 CA A:SER141 4.3 16.3 1.0 N A:GLY240 4.4 20.1 1.0 CA A:SER139 4.4 19.5 1.0 O A:HOH28 4.4 42.7 1.0 CA A:GLY240 4.5 14.4 1.0 C A:ASP239 4.5 20.8 1.0 CG A:ASP137 4.6 23.1 1.0 C A:SER139 4.6 28.1 1.0 N A:MET140 4.8 30.0 1.0 O A:ASP239 4.8 24.2 1.0 CB A:ASP239 4.9 19.9 1.0 O A:HOH4 4.9 26.8 1.0 CB A:THR206 5.0 13.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure Analysis of the Complex Lfa-1 (CD11A) I-Domain / Lovastatin at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure Analysis of the Complex Lfa-1 (CD11A) I-Domain / Lovastatin at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg310 b:42.6 occ:1.00 OG B:SER141 2.0 43.6 1.0 OG B:SER139 2.2 41.7 1.0 O B:HOH324 2.3 42.5 1.0 OD1 B:ASP239 2.6 41.6 1.0 CB B:SER141 2.8 42.0 1.0 CB B:SER139 3.4 40.3 1.0 CG B:ASP239 3.7 41.9 1.0 N B:SER141 3.9 51.1 1.0 CA B:SER141 3.9 44.9 1.0 OD2 B:ASP239 4.0 42.5 1.0 OG1 B:THR206 4.1 29.6 1.0 OD2 B:ASP137 4.2 29.3 1.0 C B:ASP239 4.5 42.1 1.0 O B:ASP239 4.5 45.7 1.0 N B:GLY240 4.5 40.9 1.0 CA B:GLY240 4.6 40.7 1.0 CA B:SER139 4.6 40.7 1.0 C B:SER139 4.7 43.9 1.0 C B:SER141 4.8 46.7 1.0 OD1 B:ASP137 4.8 32.8 1.0 CG B:ASP137 4.9 35.6 1.0 N B:LEU142 4.9 42.0 1.0 N B:MET140 4.9 47.4 1.0 CB B:ASP239 5.0 35.3 1.0 O B:SER139 5.0 47.3 1.0 O B:HOH342 5.0 87.5 1.0

J.Kallen, K.Welzenbach, P.Ramage, D.Geyl, R.Kriwacki, G.Legge, S.Cottens, G.Weitz-Schmidt, U.Hommel. Structural Basis For Lfa-1 Inhibition Upon Lovastatin Binding to the CD11A I-Domain. J.Mol.Biol. V. 292 1 1999.
ISSN: ISSN 0022-2836
PubMed: 10493852
DOI: 10.1006/JMBI.1999.3047