Magnesium in PDB 2i91: 60KDA Ro Autoantigen in Complex with A Fragment of Misfolded Rna

The structure of 60KDA Ro Autoantigen in Complex with A Fragment of Misfolded Rna, PDB code: 2i91 was solved by K.M.Reinisch, A.J.Stein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.680, 119.980, 73.540, 90.00, 98.91, 90.00
R / Rfree (%)	24.1 / 28.5

The binding sites of Magnesium atom in the 60KDA Ro Autoantigen in Complex with A Fragment of Misfolded Rna (pdb code 2i91). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 60KDA Ro Autoantigen in Complex with A Fragment of Misfolded Rna, PDB code: 2i91:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 60KDA Ro Autoantigen in Complex with A Fragment of Misfolded Rna


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 60KDA Ro Autoantigen in Complex with A Fragment of Misfolded Rna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:40.7 occ:1.00 OXT A:ACT601 1.9 26.3 1.0 OG1 A:THR445 2.0 16.3 1.0 OG A:SER378 2.0 13.3 1.0 O A:HOH702 2.0 38.7 1.0 OG A:SER380 2.1 22.9 1.0 O A:HOH915 2.3 24.5 1.0 C A:ACT601 2.8 24.1 1.0 CB A:SER378 2.8 15.8 1.0 O A:ACT601 3.1 23.2 1.0 CB A:SER380 3.3 22.4 1.0 CB A:THR445 3.4 16.7 1.0 N A:SER380 3.7 21.1 1.0 CA A:SER378 4.0 17.9 1.0 CG2 A:THR445 4.1 18.6 1.0 C A:SER378 4.1 19.9 1.0 CA A:SER380 4.1 20.9 1.0 N A:THR445 4.2 16.8 1.0 CH3 A:ACT601 4.2 22.8 1.0 CA A:THR445 4.2 18.0 1.0 OD1 A:ASP376 4.3 20.5 1.0 OH A:TYR47 4.3 21.1 1.0 N A:ALA379 4.3 20.6 1.0 O A:GLY443 4.4 17.1 1.0 C A:SER444 4.4 17.1 1.0 O A:GLU471 4.5 20.8 1.0 O A:SER378 4.5 20.9 1.0 N A:MET381 4.6 20.1 1.0 OD2 A:ASP376 4.7 18.1 1.0 N A:SER378 4.7 17.1 1.0 O A:SER444 4.8 16.4 1.0 OD1 A:ASP469 4.8 16.2 1.0 C A:ALA379 4.8 22.3 1.0 OD1 A:ASN473 4.8 33.7 1.0 C A:SER380 4.8 19.6 1.0 OD2 A:ASP469 4.9 13.7 1.0 CG A:ASP376 4.9 16.5 1.0 CA A:SER444 5.0 17.4 1.0

Magnesium binding site 2 out of 2 in the 60KDA Ro Autoantigen in Complex with A Fragment of Misfolded Rna


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 60KDA Ro Autoantigen in Complex with A Fragment of Misfolded Rna within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:29.7 occ:1.00 O B:HOH703 1.9 21.9 1.0 OG B:SER380 1.9 22.3 1.0 OXT B:ACT602 2.0 31.8 1.0 O B:HOH806 2.0 9.4 1.0 OG B:SER378 2.1 13.9 1.0 OG1 B:THR445 2.1 17.4 1.0 C B:ACT602 3.1 31.5 1.0 CB B:SER378 3.2 16.6 1.0 CB B:SER380 3.3 22.9 1.0 CB B:THR445 3.4 17.1 1.0 O B:ACT602 3.7 31.6 1.0 CG2 B:THR445 3.9 17.5 1.0 N B:SER380 4.0 22.7 1.0 OD1 B:ASP376 4.0 23.4 1.0 CA B:SER380 4.1 21.2 1.0 OD1 B:ASP469 4.2 17.0 1.0 OD2 B:ASP469 4.2 16.3 1.0 OD2 B:ASP376 4.3 19.8 1.0 O B:GLU471 4.3 20.4 1.0 CA B:SER378 4.3 18.1 1.0 CH3 B:ACT602 4.3 31.0 1.0 OH B:TYR47 4.4 22.4 1.0 C B:SER378 4.4 20.1 1.0 CA B:THR445 4.5 17.9 1.0 N B:MET381 4.5 20.1 1.0 CG B:ASP376 4.5 19.4 1.0 N B:THR445 4.6 18.5 1.0 O B:SER378 4.6 21.2 1.0 CG B:ASP469 4.7 15.8 1.0 CG B:MET381 4.7 24.2 1.0 C B:SER380 4.7 20.2 1.0 N B:ALA379 4.8 21.4 1.0 N B:SER378 4.9 17.5 1.0 CB B:GLU471 4.9 21.9 1.0 C B:SER444 4.9 18.4 1.0

G.Fuchs, A.J.Stein, C.Fu, K.M.Reinisch, S.L.Wolin. Structural and Biochemical Basis For Misfolded Rna Recognition By the Ro Autoantigen. Nat.Struct.Mol.Biol. V. 13 1002 2006.
ISSN: ISSN 1545-9993
PubMed: 17041599
DOI: 10.1038/NSMB1156