Gadolinium in PDB 6wro: Crystal Structure of Inositol Polyphosphate 1-Phosphatase INPP1 in Complex Gadolinium But No Lithium at 3 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Inositol Polyphosphate 1-Phosphatase INPP1 in Complex Gadolinium But No Lithium at 3 Angstrom Resolution:
3.1.3.57;

The structure of Crystal Structure of Inositol Polyphosphate 1-Phosphatase INPP1 in Complex Gadolinium But No Lithium at 3 Angstrom Resolution, PDB code: 6wro was solved by D.E.Dollins, S.Endo-Streeter, J.D.York, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.28 / 3.00
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	51.640, 51.640, 143.330, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.6

The binding sites of Gadolinium atom in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase INPP1 in Complex Gadolinium But No Lithium at 3 Angstrom Resolution (pdb code 6wro). 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 Inositol Polyphosphate 1-Phosphatase INPP1 in Complex Gadolinium But No Lithium at 3 Angstrom Resolution, PDB code: 6wro:
Jump to Gadolinium binding site number: 1; 2;

Gadolinium binding site 1 out of 2 in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase INPP1 in Complex Gadolinium But No Lithium at 3 Angstrom Resolution


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 Inositol Polyphosphate 1-Phosphatase INPP1 in Complex Gadolinium But No Lithium at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Gd501 b:18.2 occ:1.00 OD1 A:ASP317 2.3 23.0 1.0 OD1 A:ASP156 2.4 21.8 1.0 O2 A:SO4504 2.5 25.1 1.0 OD2 A:ASP153 2.6 23.3 1.0 O1 A:SO4504 2.7 24.4 1.0 O A:HOH617 2.7 13.1 1.0 OE2 A:GLU79 2.8 32.0 1.0 S A:SO4504 3.1 24.8 1.0 CG A:ASP317 3.3 22.8 1.0 CG A:ASP153 3.5 21.1 1.0 CG A:ASP156 3.5 21.4 1.0 OD2 A:ASP317 3.6 23.7 1.0 OD1 A:ASP153 3.7 22.7 1.0 CD A:GLU79 3.7 30.7 1.0 O3 A:SO4504 3.9 24.2 1.0 OE1 A:GLU79 4.0 32.5 1.0 O A:HOH633 4.0 9.8 1.0 O4 A:SO4504 4.3 25.7 1.0 CB A:ASP156 4.3 21.4 1.0 OD2 A:ASP156 4.3 21.4 1.0 NE1 A:TRP316 4.4 19.9 1.0 CD1 A:TRP316 4.4 20.5 1.0 CA A:ASP156 4.5 21.4 1.0 CB A:ASP317 4.7 22.4 1.0 CB A:ASP153 4.9 20.3 1.0

Gadolinium binding site 2 out of 2 in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase INPP1 in Complex Gadolinium But No Lithium at 3 Angstrom Resolution


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 Inositol Polyphosphate 1-Phosphatase INPP1 in Complex Gadolinium But No Lithium at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Gd502 b:55.0 occ:0.50 OD2 A:ASP54 2.3 30.2 1.0 OE1 A:GLU79 3.1 32.5 1.0 OE2 A:GLU80 3.3 32.3 1.0 CG A:ASP54 3.5 28.2 1.0 CG A:GLU80 3.5 29.6 1.0 CD A:GLU80 3.9 31.4 1.0 CD A:GLU79 3.9 30.7 1.0 CB A:ASP54 4.0 27.5 1.0 CG A:GLU79 4.2 29.9 1.0 OD1 A:ASP54 4.5 29.6 1.0 O4 A:SO4504 4.6 25.7 1.0 OG1 A:THR158 4.7 26.1 1.0 OE2 A:GLU79 4.8 32.0 1.0 CB A:GLU80 4.9 28.4 1.0

D.E.Dollins, J.P.Xiong, S.Endo-Streeter, D.E.Anderson, V.S.Bansal, J.W.Ponder, Y.Ren, J.D.York. A Structural Basis For Lithium and Substrate Binding of An Inositide Phosphatase. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33172890
DOI: 10.1074/JBC.RA120.014057