Gadolinium in PDB 1ga7: Crystal Structure of the Adp-Ribose Pyrophosphatase in Complex with Gd+3

All present enzymatic activity of Crystal Structure of the Adp-Ribose Pyrophosphatase in Complex with Gd+3:
3.6.1.13;

The structure of Crystal Structure of the Adp-Ribose Pyrophosphatase in Complex with Gd+3, PDB code: 1ga7 was solved by S.B.Gabelli, M.A.Bianchet, M.J.Bessman, L.M.Amzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.88 / 2.71
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.930, 67.890, 98.070, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 28.2

The binding sites of Gadolinium atom in the Crystal Structure of the Adp-Ribose Pyrophosphatase in Complex with Gd+3 (pdb code 1ga7). This binding sites where shown within 5.0 Angstroms radius around Gadolinium atom.
In total 2 binding sites of Gadolinium where determined in the Crystal Structure of the Adp-Ribose Pyrophosphatase in Complex with Gd+3, PDB code: 1ga7:
Jump to Gadolinium binding site number: 1; 2;

Gadolinium binding site 1 out of 2 in the Crystal Structure of the Adp-Ribose Pyrophosphatase in Complex with Gd+3


Mono view


Stereo pair view

A full contact list of Gadolinium with other atoms in the Gd binding site number 1 of Crystal Structure of the Adp-Ribose Pyrophosphatase in Complex with Gd+3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Gd302 b:1.0 occ:0.30 OE2 A:GLU115 2.5 37.0 1.0 OE1 A:GLU112 2.7 31.0 1.0 OE2 A:GLU112 3.0 31.4 1.0 CD A:GLU112 3.2 30.7 1.0 CD A:GLU115 3.7 36.2 1.0 CG A:GLU115 4.5 35.2 1.0 OE1 A:GLU162 4.5 59.0 1.0 OE1 A:GLU115 4.6 36.7 1.0 CG A:GLU112 4.7 30.0 1.0 OE2 A:GLU162 4.9 59.0 1.0 OE2 A:GLU116 4.9 29.2 1.0

Gadolinium binding site 2 out of 2 in the Crystal Structure of the Adp-Ribose Pyrophosphatase in Complex with Gd+3


Mono view


Stereo pair view

A full contact list of Gadolinium with other atoms in the Gd binding site number 2 of Crystal Structure of the Adp-Ribose Pyrophosphatase in Complex with Gd+3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Gd301 b:42.3 occ:1.00 OE2 B:GLU164 2.6 40.5 1.0 OE2 B:GLU112 2.7 39.0 1.0 OE1 B:GLU112 2.7 38.9 1.0 OE2 B:GLU115 2.7 37.6 1.0 OE1 B:GLU164 2.8 38.5 1.0 O B:HOH304 2.8 39.6 1.0 O B:HOH305 2.8 44.1 1.0 CD B:GLU164 3.0 39.6 1.0 CD B:GLU112 3.1 37.7 1.0 OE1 B:GLU115 3.3 38.5 1.0 CD B:GLU115 3.4 34.8 1.0 OE2 B:GLU116 4.4 32.9 1.0 CG B:GLU116 4.5 31.9 1.0 CG B:GLU164 4.5 38.3 1.0 CG B:GLU112 4.6 35.2 1.0 CD B:GLU116 4.7 32.6 1.0 CG B:GLU115 4.7 33.6 1.0 O B:ALA96 4.8 30.4 1.0 O B:HOH345 4.8 27.6 1.0 O B:HOH367 4.8 26.6 1.0

S.B.Gabelli, M.A.Bianchet, M.J.Bessman, L.M.Amzel. The Structure of Adp-Ribose Pyrophosphatase Reveals the Structural Basis For the Versatility of the Nudix Family. Nat.Struct.Biol. V. 8 467 2001.
ISSN: ISSN 1072-8368
PubMed: 11323725
DOI: 10.1038/87647