Gadolinium in PDB 1ima: Structural Analysis of Inositol Monophosphatase Complexes with Substrates

All present enzymatic activity of Structural Analysis of Inositol Monophosphatase Complexes with Substrates:
3.1.3.25;

The structure of Structural Analysis of Inositol Monophosphatase Complexes with Substrates, PDB code: 1ima was solved by R.Bone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.30
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.900, 86.900, 154.500, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / n/a

The binding sites of Gadolinium atom in the Structural Analysis of Inositol Monophosphatase Complexes with Substrates (pdb code 1ima). This binding sites where shown within 5.0 Angstroms radius around Gadolinium atom.
In total 2 binding sites of Gadolinium where determined in the Structural Analysis of Inositol Monophosphatase Complexes with Substrates, PDB code: 1ima:
Jump to Gadolinium binding site number: 1; 2;

Gadolinium binding site 1 out of 2 in the Structural Analysis of Inositol Monophosphatase Complexes with Substrates


Mono view


Stereo pair view

A full contact list of Gadolinium with other atoms in the Gd binding site number 1 of Structural Analysis of Inositol Monophosphatase Complexes with Substrates within 5.0Å range: probe atom residue distance (Å) B Occ A:Gd278 b:22.1 occ:0.37 O A:ILE92 2.0 16.6 1.0 O7 A:IPD279 2.1 19.0 1.0 OE1 A:GLU70 2.3 15.6 1.0 OD1 A:ASP90 2.3 11.7 1.0 O A:HOH283 2.6 10.1 1.0 O A:HOH362 2.8 17.5 1.0 CG A:ASP90 3.1 16.5 1.0 OD2 A:ASP90 3.2 14.6 1.0 C A:ILE92 3.2 11.1 1.0 CD A:GLU70 3.3 21.4 1.0 P1 A:IPD279 3.4 9.6 1.0 OG1 A:THR95 3.7 6.0 1.0 OE2 A:GLU70 3.8 23.8 1.0 N A:ASP93 4.0 7.2 1.0 O8 A:IPD279 4.0 12.5 1.0 CA A:ASP93 4.1 5.2 1.0 O9 A:IPD279 4.1 9.1 1.0 OD2 A:ASP47 4.2 19.4 1.0 N A:ILE92 4.2 10.8 1.0 CA A:ILE92 4.3 10.0 1.0 O A:HOH356 4.3 10.3 1.0 O A:HOH322 4.5 21.0 1.0 O1 A:IPD279 4.6 16.0 1.0 CG A:GLU70 4.6 16.3 1.0 CB A:ASP90 4.6 13.5 1.0 OE2 A:GLU71 4.7 19.2 1.0 CB A:GLU70 4.7 12.3 1.0 CB A:ILE92 4.8 10.6 1.0 CD A:PRO91 5.0 10.1 1.0 CG A:PRO91 5.0 10.3 1.0

Gadolinium binding site 2 out of 2 in the Structural Analysis of Inositol Monophosphatase Complexes with Substrates


Mono view


Stereo pair view

A full contact list of Gadolinium with other atoms in the Gd binding site number 2 of Structural Analysis of Inositol Monophosphatase Complexes with Substrates within 5.0Å range: probe atom residue distance (Å) B Occ B:Gd278 b:17.9 occ:0.37 O7 B:IPD279 2.1 15.0 1.0 O B:ILE92 2.2 9.2 1.0 OE1 B:GLU70 2.3 11.9 1.0 OD1 B:ASP90 2.4 11.4 1.0 O B:HOH287 2.6 11.9 1.0 O B:HOH291 2.7 5.7 1.0 CG B:ASP90 3.2 10.8 1.0 CD B:GLU70 3.2 10.2 1.0 OD2 B:ASP90 3.2 6.8 1.0 C B:ILE92 3.3 10.3 1.0 P1 B:IPD279 3.5 7.2 1.0 OE2 B:GLU70 3.6 16.4 1.0 OG1 B:THR95 3.7 3.7 1.0 O8 B:IPD279 4.0 14.0 1.0 N B:ASP93 4.1 10.5 1.0 O9 B:IPD279 4.1 9.9 1.0 O B:HOH296 4.2 2.1 1.0 CA B:ASP93 4.2 7.0 1.0 N B:ILE92 4.3 11.8 1.0 OD2 B:ASP47 4.3 19.0 1.0 CA B:ILE92 4.3 10.0 1.0 O B:HOH289 4.4 23.2 1.0 OE2 B:GLU71 4.5 19.2 1.0 CG B:GLU70 4.5 2.1 1.0 O1 B:IPD279 4.6 15.7 1.0 CB B:ASP90 4.6 7.7 1.0 CB B:GLU70 4.7 9.1 1.0 CB B:ILE92 4.8 8.4 1.0 OD1 B:ASP220 4.8 5.9 1.0 CD B:PRO91 4.8 12.4 1.0 N B:GLY94 5.0 5.5 1.0

R.Bone, L.Frank, J.P.Springer, S.J.Pollack, S.A.Osborne, J.R.Atack, M.R.Knowles, G.Mcallister, C.I.Ragan, H.B.Broughton, R.Baker, S.R.Fletcher. Structural Analysis of Inositol Monophosphatase Complexes with Substrates. Biochemistry V. 33 9460 1994.
ISSN: ISSN 0006-2960
PubMed: 8068620
DOI: 10.1021/BI00198A011