Calcium in PDB 2cm3: Structure of Protein Tyrosine Phosphatase 1B (C2)

All present enzymatic activity of Structure of Protein Tyrosine Phosphatase 1B (C2):
3.1.3.48;

The structure of Structure of Protein Tyrosine Phosphatase 1B (C2), PDB code: 2cm3 was solved by P.J.Ala, L.Gonneville, M.C.Hillman, M.Becker-Pasha, M.Wei, B.G.Reid, R.Klabe, E.W.Yue, B.Wayland, B.Douty, A.P.Combs, P.Polam, Z.Wasserman, M.Bower, T.C.Burn, G.F.Hollis, R.Wynn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.850, 95.500, 70.750, 90.00, 109.66, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Structure of Protein Tyrosine Phosphatase 1B (C2) (pdb code 2cm3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Protein Tyrosine Phosphatase 1B (C2), PDB code: 2cm3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Protein Tyrosine Phosphatase 1B (C2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Protein Tyrosine Phosphatase 1B (C2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1282 b:24.7 occ:1.00 O A:HIS54 2.4 11.9 1.0 O B:HOH2154 2.4 16.4 1.0 O A:HOH2072 2.5 25.5 1.0 O A:HOH2070 2.6 19.8 1.0 O B:HOH2155 2.7 15.9 1.0 O A:HOH2071 2.7 20.9 1.0 O B:HOH2149 2.7 22.0 1.0 O B:HOH2152 2.7 12.5 1.0 C A:HIS54 3.6 15.7 1.0 NZ B:LYS128 3.7 34.9 1.0 OE2 B:GLU130 4.2 24.9 1.0 O A:HOH2097 4.3 14.0 1.0 O B:HOH2147 4.4 40.9 1.0 N A:SER55 4.4 13.4 1.0 O B:HOH2065 4.4 23.2 1.0 CA A:HIS54 4.5 14.0 1.0 CA A:SER55 4.5 13.6 1.0 CB A:HIS54 4.6 15.4 1.0 ND1 A:HIS54 4.7 16.0 1.0 OE1 B:GLU130 4.7 20.7 1.0 O A:HOH2077 4.8 28.4 1.0 O A:HOH2076 4.9 20.5 1.0 CD B:GLU130 4.9 19.9 1.0 O B:HOH2150 5.0 46.6 1.0

Calcium binding site 2 out of 2 in the Structure of Protein Tyrosine Phosphatase 1B (C2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Protein Tyrosine Phosphatase 1B (C2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1282 b:33.3 occ:1.00 O B:HIS54 2.4 24.5 1.0 O B:HOH2077 2.8 22.3 1.0 O B:HOH2080 2.8 36.2 1.0 O B:HOH2079 3.0 27.2 1.0 C B:HIS54 3.6 22.4 1.0 O B:HOH2102 4.2 21.4 1.0 CA B:SER55 4.4 22.7 1.0 N B:SER55 4.4 22.1 1.0 CA B:HIS54 4.4 21.7 1.0 ND1 B:HIS54 4.5 16.9 1.0 CB B:HIS54 4.6 19.4 1.0 O B:HOH2020 4.8 32.9 1.0 O B:HOH2090 4.8 21.2 1.0

P.J.Ala, L.Gonneville, M.C.Hillman, M.Becker-Pasha, M.Wei, B.G.Reid, R.Klabe, E.W.Yue, B.Wayland, B.Douty, P.Polam, Z.Wasserman, M.Bower, A.P.Combs, T.C.Burn, G.F.Hollis, R.Wynn. Structural Basis For Inhibition of Protein-Tyrosine Phosphatase 1B By Isothiazolidinone Heterocyclic Phosphonate Mimetics. J.Biol.Chem. V. 281 32784 2006.
ISSN: ISSN 0021-9258
PubMed: 16916797
DOI: 10.1074/JBC.M606873200