Calcium in PDB 6ael: Crystal Structure of ENPP1 in Complex with 3'3'-Cgamp

The structure of Crystal Structure of ENPP1 in Complex with 3'3'-Cgamp, PDB code: 6ael was solved by K.Kato, H.Nishimasu, S.Hirano, H.Hirano, R.Ishitani, O.Nureki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.169, 94.063, 74.274, 90.00, 95.93, 90.00
R / Rfree (%)	16.6 / 20.2

The structure of Crystal Structure of ENPP1 in Complex with 3'3'-Cgamp also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Chlorine	(Cl)	6 atoms

The binding sites of Calcium atom in the Crystal Structure of ENPP1 in Complex with 3'3'-Cgamp (pdb code 6ael). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of ENPP1 in Complex with 3'3'-Cgamp, PDB code: 6ael:

Calcium binding site 1 out of 1 in the Crystal Structure of ENPP1 in Complex with 3'3'-Cgamp


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 ENPP1 in Complex with 3'3'-Cgamp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1010 b:24.1 occ:1.00 OD1 A:ASP782 2.2 16.5 1.0 OD1 A:ASP788 2.2 19.9 1.0 OD1 A:ASP780 2.3 17.1 1.0 O A:ARG786 2.3 18.9 1.0 OD1 A:ASP784 2.3 17.8 1.0 O A:HOH1316 2.5 25.9 1.0 CG A:ASP784 3.2 17.6 1.0 CG A:ASP782 3.3 23.4 1.0 CG A:ASP780 3.4 18.1 1.0 C A:ARG786 3.4 18.4 1.0 CG A:ASP788 3.5 27.3 1.0 OD2 A:ASP782 3.6 25.0 1.0 OD2 A:ASP784 3.7 20.1 1.0 CA A:ASP780 3.9 15.6 1.0 C A:TYR787 3.9 20.0 1.0 N A:ARG786 4.0 15.7 1.0 O A:TYR787 4.0 19.7 1.0 N A:ASP788 4.0 19.9 1.0 CB A:ASP780 4.1 14.2 1.0 CA A:ASP788 4.1 21.0 1.0 N A:ASP784 4.2 17.6 1.0 CA A:ARG786 4.2 15.6 1.0 OD2 A:ASP788 4.3 30.2 1.0 OD2 A:ASP780 4.3 15.9 1.0 C A:ASP780 4.3 19.0 1.0 CB A:ASP784 4.4 16.6 1.0 N A:TYR787 4.4 15.7 1.0 CB A:ASP788 4.4 22.9 1.0 N A:ASP782 4.4 20.1 1.0 CA A:TYR787 4.5 18.7 1.0 O A:PHE779 4.6 22.9 1.0 N A:TYR783 4.6 18.4 1.0 CB A:ASP782 4.6 24.1 1.0 O A:HOH1273 4.6 51.2 1.0 CB A:ARG786 4.6 21.2 1.0 N A:PHE781 4.6 17.9 1.0 CA A:ASP784 4.7 18.0 1.0 C A:ASP782 4.7 19.1 1.0 N A:GLY785 4.7 20.3 1.0 CA A:ASP782 4.8 22.2 1.0 C A:ASP784 4.8 20.9 1.0 O A:ASP780 4.9 16.9 1.0

K.Kato, H.Nishimasu, D.Oikawa, S.Hirano, H.Hirano, G.Kasuya, R.Ishitani, F.Tokunaga, O.Nureki. Structural Insights Into Cgamp Degradation By Ecto-Nucleotide Pyrophosphatase Phosphodiesterase 1. Nat Commun V. 9 4424 2018.
ISSN: ESSN 2041-1723
PubMed: 30356045
DOI: 10.1038/S41467-018-06922-7