Calcium in PDB 7kir: Crystal Structure of Inositol Polyphosphate 1-Phosphatase (INPP1) D54A Mutant in Complex with Inositol (1,4)-Bisphosphate

All present enzymatic activity of Crystal Structure of Inositol Polyphosphate 1-Phosphatase (INPP1) D54A Mutant in Complex with Inositol (1,4)-Bisphosphate:
3.1.3.57;

The structure of Crystal Structure of Inositol Polyphosphate 1-Phosphatase (INPP1) D54A Mutant in Complex with Inositol (1,4)-Bisphosphate, PDB code: 7kir was solved by D.E.Dollins, J.-P.Xiong, Y.Ren, J.D.York, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.25 / 2.60
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	51.437, 51.437, 142.938, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 24.6

The binding sites of Calcium atom in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase (INPP1) D54A Mutant in Complex with Inositol (1,4)-Bisphosphate (pdb code 7kir). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase (INPP1) D54A Mutant in Complex with Inositol (1,4)-Bisphosphate, PDB code: 7kir:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase (INPP1) D54A Mutant in Complex with Inositol (1,4)-Bisphosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Inositol Polyphosphate 1-Phosphatase (INPP1) D54A Mutant in Complex with Inositol (1,4)-Bisphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:31.9 occ:1.00 OD1 A:ASP317 2.4 22.1 1.0 O11 A:2IP501 2.4 29.0 1.0 OD1 A:ASP156 2.4 21.8 1.0 O1 A:2IP501 2.4 32.8 1.0 OD2 A:ASP153 2.5 19.6 1.0 O A:HOH621 3.0 22.4 1.0 P1 A:2IP501 3.1 32.8 1.0 O2 A:2IP501 3.3 29.4 1.0 CG A:ASP317 3.4 22.1 1.0 C1 A:2IP501 3.5 29.3 1.0 CG A:ASP156 3.6 18.2 1.0 C2 A:2IP501 3.6 30.7 1.0 CG A:ASP153 3.6 18.8 1.0 CA A:CA503 3.7 33.9 1.0 OD2 A:ASP317 3.7 24.3 1.0 O12 A:2IP501 3.9 26.6 1.0 OE1 A:GLU79 4.0 31.9 1.0 C6 A:2IP501 4.1 36.9 1.0 OD1 A:ASP153 4.2 19.6 1.0 CB A:ASP156 4.2 15.8 1.0 CA A:ASP156 4.3 17.4 1.0 O13 A:2IP501 4.3 31.2 1.0 NE1 A:TRP316 4.3 21.5 1.0 CD1 A:TRP316 4.4 19.9 1.0 OE2 A:GLU79 4.5 31.5 1.0 CD A:GLU79 4.6 28.6 1.0 OD2 A:ASP156 4.6 17.8 1.0 O6 A:2IP501 4.6 44.2 1.0 CB A:ASP317 4.7 18.8 1.0 N A:SER157 4.8 21.6 1.0 CB A:ASP153 4.8 20.6 1.0 O A:HOH614 5.0 29.6 1.0 O A:ILE155 5.0 20.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Inositol Polyphosphate 1-Phosphatase (INPP1) D54A Mutant in Complex with Inositol (1,4)-Bisphosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Inositol Polyphosphate 1-Phosphatase (INPP1) D54A Mutant in Complex with Inositol (1,4)-Bisphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:33.9 occ:1.00 O11 A:2IP501 2.3 29.0 1.0 OE1 A:GLU79 2.4 31.9 1.0 O A:ILE155 2.5 20.4 1.0 OD1 A:ASP153 2.5 19.6 1.0 O A:HOH616 2.6 30.2 1.0 O A:HOH614 2.7 29.6 1.0 CG A:ASP153 3.3 18.8 1.0 OD2 A:ASP153 3.3 19.6 1.0 CD A:GLU79 3.4 28.6 1.0 C A:ILE155 3.5 17.8 1.0 CA A:CA502 3.7 31.9 1.0 OE2 A:GLU79 3.7 31.5 1.0 P1 A:2IP501 3.8 32.8 1.0 OG1 A:THR158 3.9 26.8 1.0 CA A:ASP156 4.2 17.4 1.0 N A:ASP156 4.2 17.9 1.0 O13 A:2IP501 4.2 31.2 1.0 N A:ILE155 4.4 19.1 1.0 O12 A:2IP501 4.4 26.6 1.0 CA A:ILE155 4.5 18.8 1.0 CG A:GLU79 4.6 25.9 1.0 O1 A:2IP501 4.7 32.8 1.0 OE2 A:GLU80 4.7 31.9 1.0 CB A:ASP153 4.7 20.6 1.0 CB A:GLU79 4.9 25.4 1.0 OD1 A:ASP156 4.9 21.8 1.0 O A:HOH621 5.0 22.4 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