Calcium in PDB 4br2: Rat NTPDASE2 in Complex with Ca Umppnp

All present enzymatic activity of Rat NTPDASE2 in Complex with Ca Umppnp:
3.6.1.5;

The structure of Rat NTPDASE2 in Complex with Ca Umppnp, PDB code: 4br2 was solved by M.Zebisch, P.Schaefer, P.Lauble, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.11 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.580, 69.020, 164.010, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.094

The binding sites of Calcium atom in the Rat NTPDASE2 in Complex with Ca Umppnp (pdb code 4br2). 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 Rat NTPDASE2 in Complex with Ca Umppnp, PDB code: 4br2:

Calcium binding site 1 out of 1 in the Rat NTPDASE2 in Complex with Ca Umppnp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Rat NTPDASE2 in Complex with Ca Umppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1502 b:15.9 occ:1.00 O3G A:UNP1501 2.2 14.1 1.0 O A:HOH2006 2.3 13.7 1.0 O3B A:UNP1501 2.3 18.1 1.0 O A:HOH2142 2.4 14.4 1.0 O A:HOH2004 2.5 12.2 1.0 O A:HOH2105 2.5 13.5 1.0 PB A:UNP1501 3.4 23.8 1.0 PG A:UNP1501 3.6 16.7 1.0 O3A A:UNP1501 4.0 21.6 1.0 N2B A:UNP1501 4.0 16.5 1.0 O2A A:UNP1501 4.0 25.2 1.0 O A:HOH2143 4.0 19.6 1.0 O A:HOH2282 4.0 30.2 1.0 O A:HOH2104 4.1 17.1 1.0 OE2 A:GLU165 4.1 18.1 1.0 NE1 A:TRP436 4.2 14.6 1.0 O1G A:UNP1501 4.2 14.2 1.0 OG1 A:THR122 4.3 17.9 1.0 OD1 A:ASP45 4.4 15.6 1.0 PA A:UNP1501 4.5 25.3 1.0 OD2 A:ASP201 4.5 12.6 1.0 OD2 A:ASP45 4.5 16.8 1.0 CD1 A:TRP436 4.6 13.5 1.0 OD1 A:ASP201 4.6 11.4 1.0 CA A:GLY203 4.6 11.4 1.0 CE1 A:HIS50 4.7 25.2 1.0 O2G A:UNP1501 4.8 15.4 1.0 CA A:GLY47 4.8 15.7 1.0 O1B A:UNP1501 4.8 21.0 1.0 CG A:ASP45 5.0 16.5 1.0 O A:HOH2071 5.0 23.2 1.0 O1A A:UNP1501 5.0 27.6 1.0 CG A:ASP201 5.0 11.9 1.0

M.Zebisch, M.Krauss, P.Schaefer, P.Lauble, N.Straeter. Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure V. 21 1460 2013.
ISSN: ISSN 0969-2126
PubMed: 23830739
DOI: 10.1016/J.STR.2013.05.016