Calcium in PDB 1brw: The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation

All present enzymatic activity of The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation:
2.4.2.2;

The structure of The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation, PDB code: 1brw was solved by M.J.Pugmire, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.570, 70.450, 122.780, 90.00, 98.02, 90.00
R / Rfree (%)	23.2 / 27.6

The binding sites of Calcium atom in the The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation (pdb code 1brw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation, PDB code: 1brw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3001 b:14.9 occ:1.00 O A:GLY88 2.3 10.6 1.0 O A:LEU243 2.5 15.1 1.0 O A:ALA246 2.6 15.0 1.0 OE2 A:GLU255 2.7 21.0 1.0 OG1 A:THR90 3.0 18.9 1.0 C A:GLY88 3.2 9.5 1.0 CA A:GLY88 3.5 8.2 1.0 C A:LEU243 3.6 11.6 1.0 C A:ALA246 3.7 14.5 1.0 CD A:GLU255 3.8 21.1 1.0 N A:ALA246 4.0 16.2 1.0 CA A:GLY244 4.1 10.6 1.0 CB A:THR90 4.2 19.5 1.0 CA A:ALA246 4.2 12.5 1.0 OE1 A:GLU252 4.2 32.7 1.0 N A:TYR245 4.2 18.4 1.0 N A:GLY244 4.3 10.8 1.0 OE1 A:GLU255 4.3 26.5 1.0 CD A:GLU252 4.3 24.5 1.0 CG A:GLU252 4.4 18.5 1.0 C A:GLY244 4.4 17.0 1.0 N A:THR90 4.4 16.7 1.0 N A:ASP89 4.4 8.0 1.0 CB A:ALA246 4.6 17.9 1.0 CA A:LEU243 4.7 14.2 1.0 C A:TYR245 4.7 21.0 1.0 CB A:LEU243 4.8 16.6 1.0 N A:VAL247 4.8 14.8 1.0 N A:GLY88 4.9 7.7 1.0 OE2 A:GLU252 4.9 21.5 1.0 N A:LEU243 4.9 18.7 1.0 CA A:THR90 4.9 19.1 1.0 CG A:GLU255 5.0 21.4 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3002 b:22.9 occ:1.00 O B:LEU1243 2.1 26.9 1.0 O B:GLY1088 2.3 38.8 1.0 OE1 B:GLU1255 2.8 35.7 1.0 O B:ALA1246 2.9 30.7 1.0 OG1 B:THR1090 2.9 27.6 1.0 C B:GLY1088 3.1 36.5 1.0 CA B:GLY1088 3.3 33.7 1.0 C B:LEU1243 3.3 28.6 1.0 OE1 B:GLU1252 3.9 49.5 1.0 C B:ALA1246 3.9 30.4 1.0 CD B:GLU1255 3.9 32.8 1.0 CA B:GLY1244 4.1 30.0 1.0 N B:GLY1244 4.2 27.5 1.0 N B:ALA1246 4.2 23.8 1.0 N B:TYR1245 4.2 32.6 1.0 OE2 B:GLU1255 4.3 32.8 1.0 N B:THR1090 4.3 23.1 1.0 CD B:GLU1252 4.3 45.1 1.0 CB B:THR1090 4.3 29.4 1.0 N B:ASP1089 4.3 32.4 1.0 CA B:LEU1243 4.3 29.6 1.0 CB B:LEU1243 4.4 30.9 1.0 C B:GLY1244 4.4 30.5 1.0 CA B:ALA1246 4.5 24.3 1.0 CG B:GLU1252 4.6 33.8 1.0 N B:LEU1243 4.6 31.6 1.0 CB B:ALA1246 4.7 20.0 1.0 C B:TYR1245 4.7 30.1 1.0 N B:GLY1088 4.8 28.8 1.0 CG B:LEU1243 4.9 32.3 1.0 CA B:THR1090 4.9 25.9 1.0 CA B:ASP1089 5.0 31.4 1.0 N B:VAL1247 5.0 31.5 1.0

M.J.Pugmire, S.E.Ealick. The Crystal Structure of Pyrimidine Nucleoside Phosphorylase in A Closed Conformation. Structure V. 6 1467 1998.
ISSN: ISSN 0969-2126
PubMed: 9817849
DOI: 10.1016/S0969-2126(98)00145-2