Calcium in PDB 1nnl: Crystal Structure of Human Phosphoserine Phosphatase

All present enzymatic activity of Crystal Structure of Human Phosphoserine Phosphatase:
3.1.3.3;

The structure of Crystal Structure of Human Phosphoserine Phosphatase, PDB code: 1nnl was solved by Y.Peeraer, A.Rabijns, C.Verboven, J.F.Collet, E.Van Schaftingen, C.De Ranter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.86 / 1.53
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	49.033, 130.249, 157.293, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 23.4

The structure of Crystal Structure of Human Phosphoserine Phosphatase also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Calcium atom in the Crystal Structure of Human Phosphoserine Phosphatase (pdb code 1nnl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Human Phosphoserine Phosphatase, PDB code: 1nnl:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Human Phosphoserine Phosphatase


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 Human Phosphoserine Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2001 b:14.0 occ:1.00 OD2 A:ASP179 2.3 16.3 1.0 O A:ASP22 2.3 14.2 1.0 O A:HOH1026 2.3 16.4 1.0 O A:HOH1069 2.4 19.3 1.0 OD1 A:ASP20 2.4 18.0 1.0 O A:HOH1028 2.4 17.4 1.0 OD2 A:ASP20 2.8 16.4 1.0 CG A:ASP20 2.9 13.7 1.0 CG A:ASP179 3.4 16.4 1.0 C A:ASP22 3.5 14.0 1.0 OD1 A:ASP179 3.7 17.2 1.0 OD2 A:ASP183 4.1 17.1 1.0 CB A:ASP22 4.2 15.8 1.0 CA A:ASP22 4.2 14.4 1.0 CB A:ASP20 4.3 12.2 1.0 CB A:SER23 4.4 16.6 1.0 N A:ASP22 4.4 13.7 1.0 O A:HOH1175 4.4 31.4 1.0 O A:HOH1019 4.4 15.9 1.0 OG1 A:THR24 4.4 14.4 1.0 O A:HOH1266 4.5 37.3 1.0 N A:SER23 4.6 14.2 1.0 NZ A:LYS158 4.6 20.6 1.0 CB A:ASP179 4.7 14.3 1.0 N A:ASP179 4.7 13.4 1.0 O A:HOH1168 4.7 38.1 1.0 CL A:CL1500 4.8 21.9 1.0 N A:GLY180 4.8 15.1 1.0 CA A:SER23 4.9 14.7 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Human Phosphoserine Phosphatase


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 Human Phosphoserine Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2002 b:17.5 occ:1.00 OD1 B:ASP20 2.2 21.9 1.0 O B:ASP22 2.3 19.3 1.0 O B:HOH1117 2.3 24.7 1.0 OD1 B:ASP179 2.3 21.4 1.0 O B:HOH1068 2.4 21.8 1.0 O B:HOH1021 2.5 22.5 1.0 CG B:ASP20 2.9 18.7 1.0 OD2 B:ASP20 2.9 22.0 1.0 CG B:ASP179 3.4 22.6 1.0 C B:ASP22 3.4 18.9 1.0 OD2 B:ASP179 3.7 20.9 1.0 CB B:ASP22 4.0 19.8 1.0 CA B:ASP22 4.1 18.7 1.0 OD2 B:ASP183 4.2 21.9 1.0 CB B:SER23 4.3 20.5 1.0 CB B:ASP20 4.4 15.2 1.0 N B:ASP22 4.4 17.4 1.0 OG1 B:THR24 4.4 16.3 1.0 O B:HOH1055 4.5 20.0 1.0 N B:SER23 4.5 17.5 1.0 CB B:ASP179 4.7 19.5 1.0 NZ B:LYS158 4.8 25.4 1.0 OG B:SER23 4.8 23.5 1.0 N B:ASP179 4.8 19.1 1.0 CA B:SER23 4.8 17.7 1.0 N B:GLY180 4.9 19.9 1.0 O B:HOH1411 4.9 47.4 1.0 CL B:CL1507 4.9 33.5 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Human Phosphoserine Phosphatase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Human Phosphoserine Phosphatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2003 b:21.3 occ:1.00 O B:HOH1222 2.3 28.3 1.0 O B:PRO188 2.4 22.4 1.0 O B:HOH1401 2.4 28.6 1.0 O B:GLU185 3.2 26.0 1.0 O B:HOH1246 3.2 29.5 1.0 C B:PRO188 3.5 22.9 1.0 CD B:PRO189 4.1 23.1 1.0 N B:PRO189 4.2 21.0 1.0 O B:HOH1294 4.2 34.1 0.5 C B:GLU185 4.3 26.6 1.0 O B:HOH1292 4.4 37.4 1.0 CA B:ALA186 4.5 25.5 1.0 N B:PRO188 4.5 24.1 1.0 CG B:PRO188 4.5 20.6 1.0 CA B:PRO188 4.6 21.7 1.0 O B:HOH1210 4.6 43.0 1.0 C B:ALA186 4.7 24.7 1.0 O B:HOH1374 4.7 28.4 1.0 O B:HOH1245 4.7 42.5 1.0 O B:HOH1194 4.7 36.7 1.0 CD B:PRO188 4.8 21.9 1.0 N B:CYS187 4.8 24.0 1.0 N B:ALA186 4.9 25.8 1.0

Y.Peeraer, A.Rabijns, C.Verboven, J.F.Collet, E.Van Schaftingen, C.De Ranter. High-Resolution Structure of Human Phosphoserine Phosphatase in Open Conformation. Acta Crystallogr.,Sect.D V. 59 971 2003.
ISSN: ISSN 0907-4449
PubMed: 12777757
DOI: 10.1107/S0907444903005407