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Calcium in PDB 2cnh: Structural Insights Into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B

Enzymatic activity of Structural Insights Into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B

All present enzymatic activity of Structural Insights Into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B:
3.1.3.48;

Protein crystallography data

The structure of Structural Insights Into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B, PDB code: 2cnh was solved by P.J.Ala, L.Gonneville, M.Hillman, M.Becker-Pasha, E.W.Yue, B.Douty, B.Wayland, P.Polam, M.L.Crawley, E.Mclaughlin, R.B.Sparks, B.Glass, A.Takvorian, A.P.Combs, 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) 8.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.900, 71.410, 87.580, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Structural Insights Into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B (pdb code 2cnh). 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 Structural Insights Into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B, PDB code: 2cnh:

Calcium binding site 1 out of 1 in 2cnh

Go back to Calcium Binding Sites List in 2cnh
Calcium binding site 1 out of 1 in the Structural Insights Into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Insights Into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1299

b:25.0
occ:1.00
O A:HOH2165 2.6 24.8 1.0
O A:HOH2161 2.7 30.4 1.0
O A:HOH2164 2.8 25.8 1.0
NZ A:LYS128 4.1 35.1 1.0
OE2 A:GLU130 4.4 22.5 1.0
OE1 A:GLU130 4.6 19.7 1.0
O A:HOH2063 4.7 41.1 1.0
CE A:LYS128 4.9 35.7 1.0
CD A:GLU130 5.0 19.3 1.0

Reference:

P.J.Ala, L.Gonneville, M.Hillman, M.Becker-Pasha, E.W.Yue, B.Douty, B.Wayland, P.Polam, M.L.Crawley, E.Mclaughlin, R.B.Sparks, B.Glass, A.Takvorian, A.P.Combs, T.C.Burn, G.F.Hollis, R.Wynn. Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B. J.Biol.Chem. V. 281 38013 2006.
ISSN: ISSN 0021-9258
PubMed: 17028182
DOI: 10.1074/JBC.M607913200
Page generated: Fri Jul 12 09:35:44 2024

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