Magnesium in PDB 4xw2: Structural Basis For Simvastatin Competitive Antagonism of Complement Receptor 3

The structure of Structural Basis For Simvastatin Competitive Antagonism of Complement Receptor 3, PDB code: 4xw2 was solved by G.Bajic, M.R.Jensen, T.Vorup-Jensen, G.R.Andersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.20 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.380, 57.690, 58.400, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.2

The binding sites of Magnesium atom in the Structural Basis For Simvastatin Competitive Antagonism of Complement Receptor 3 (pdb code 4xw2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structural Basis For Simvastatin Competitive Antagonism of Complement Receptor 3, PDB code: 4xw2:

Magnesium binding site 1 out of 1 in the Structural Basis For Simvastatin Competitive Antagonism of Complement Receptor 3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Basis For Simvastatin Competitive Antagonism of Complement Receptor 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:11.8 occ:1.00 O A:HOH564 2.0 12.5 1.0 O1A A:SIM402 2.1 13.5 1.0 O A:HOH563 2.1 10.4 1.0 OG A:SER142 2.1 11.3 1.0 OG1 A:THR209 2.1 11.7 1.0 OG A:SER144 2.2 12.4 1.0 C1 A:SIM402 2.9 17.9 1.0 CB A:SER142 3.0 11.7 1.0 O1B A:SIM402 3.2 14.0 1.0 CB A:SER144 3.3 13.7 1.0 CB A:THR209 3.4 13.2 1.0 CG2 A:THR209 3.7 10.1 1.0 N A:SER144 3.9 14.1 1.0 O3 A:SIM402 3.9 37.1 1.0 OD1 A:ASP140 4.1 13.3 1.0 O A:GLU244 4.2 14.8 1.0 CA A:SER144 4.2 14.2 1.0 OD2 A:ASP242 4.2 17.7 1.0 OD2 A:ASP140 4.3 9.3 1.0 OD1 A:ASP242 4.3 14.0 1.0 C2 A:SIM402 4.3 20.5 1.0 CA A:SER142 4.3 12.0 1.0 O A:HOH502 4.5 26.7 1.0 C A:SER142 4.5 14.4 1.0 CA A:THR209 4.5 13.8 1.0 C3 A:SIM402 4.5 27.0 1.0 N A:GLY143 4.6 14.0 1.0 CG A:ASP140 4.6 10.2 1.0 CG A:ASP242 4.7 16.2 1.0 N A:THR209 4.8 12.7 1.0 N A:ILE145 4.8 12.8 1.0 C A:SER144 4.9 14.8 1.0 CG1 A:ILE145 4.9 10.5 1.0 O A:SER142 4.9 14.5 1.0

M.R.Jensen, G.Bajic, X.Zhang, A.K.Laustsen, H.Kolds, K.K.Skeby, B.Schitt, G.R.Andersen, T.Vorup-Jensen. Structural Basis For Simvastatin Competitive Antagonism of Complement Receptor 3. J.Biol.Chem. V. 291 16963 2016.
ISSN: ESSN 1083-351X
PubMed: 27339893
DOI: 10.1074/JBC.M116.732222