Magnesium in PDB 1inp: Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3 Angstroms Resolution

All present enzymatic activity of Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3 Angstroms Resolution:
3.1.3.57;

The structure of Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3 Angstroms Resolution, PDB code: 1inp was solved by J.D.York, J.W.Ponder, Z.Chen, F.S.Mathews, P.W.Majerus, 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 41
Cell size a, b, c (Å), α, β, γ (°)	51.640, 51.640, 143.330, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / n/a

The binding sites of Magnesium atom in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3 Angstroms Resolution (pdb code 1inp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3 Angstroms Resolution, PDB code: 1inp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:48.2 occ:1.00 OD2 A:ASP153 3.1 7.1 1.0 OD1 A:ASP317 3.1 23.3 1.0 OD1 A:ASP156 3.3 9.5 1.0 O A:HOH447 3.3 53.9 1.0 OD1 A:ASP153 3.5 11.0 1.0 H2 A:HOH447 3.6 0.0 1.0 CG A:ASP153 3.7 9.2 1.0 HE1 A:TRP316 3.7 0.0 1.0 OE1 A:GLU79 3.8 30.7 1.0 MG A:MG402 3.9 55.8 1.0 H A:SER157 4.1 0.0 1.0 CD A:GLU79 4.2 33.8 1.0 CG A:ASP317 4.3 21.2 1.0 H1 A:HOH447 4.3 0.0 1.0 NE1 A:TRP316 4.3 14.8 1.0 CG A:ASP156 4.4 7.0 1.0 OE2 A:GLU79 4.4 39.8 1.0 CD1 A:TRP316 4.4 18.5 1.0 CA A:ASP156 4.5 10.3 1.0 OD2 A:ASP317 4.7 20.6 1.0 CB A:ASP156 4.8 7.0 1.0 N A:SER157 4.9 16.7 1.0 O A:ILE155 4.9 9.3 1.0 CG A:GLU79 5.0 31.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:55.8 occ:1.00 O A:ILE155 2.5 9.3 1.0 OE2 A:GLU79 2.6 39.8 1.0 OD1 A:ASP153 3.4 11.0 1.0 H A:ILE155 3.4 0.0 1.0 OD1 A:ASP54 3.5 18.7 1.0 CD A:GLU79 3.6 33.8 1.0 OD2 A:ASP54 3.6 22.0 1.0 C A:ILE155 3.6 9.5 1.0 CG2 A:THR158 3.7 25.5 1.0 CG A:ASP54 3.9 17.9 1.0 MG A:MG401 3.9 48.2 1.0 O A:HOH447 3.9 53.9 1.0 OE1 A:GLU79 4.0 30.7 1.0 HZ3 A:LYS50 4.0 0.0 1.0 H1 A:HOH447 4.2 0.0 1.0 N A:ILE155 4.2 10.2 1.0 N A:ASP156 4.4 8.8 1.0 HZ2 A:LYS50 4.4 0.0 1.0 CA A:ASP156 4.4 10.3 1.0 CD A:PRO154 4.5 3.5 1.0 CA A:ILE155 4.5 9.0 1.0 CG A:ASP153 4.5 9.2 1.0 NZ A:LYS50 4.6 50.2 1.0 OE2 A:GLU80 4.7 32.7 1.0 CG A:GLU79 4.7 31.2 1.0 CB A:ILE155 4.8 10.5 1.0 H2 A:HOH447 4.8 0.0 1.0 H A:THR158 4.8 0.0 1.0 CB A:THR158 4.8 26.8 1.0 OG1 A:THR158 4.9 31.3 1.0 HZ1 A:LYS50 4.9 0.0 1.0

J.D.York, J.W.Ponder, Z.W.Chen, F.S.Mathews, P.W.Majerus. Crystal Structure of Inositol Polyphosphate 1-Phosphatase at 2.3-A Resolution. Biochemistry V. 33 13164 1994.
ISSN: ISSN 0006-2960
PubMed: 7947723
DOI: 10.1021/BI00249A002