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Sodium in PDB 2bgd: Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors

Enzymatic activity of Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors

All present enzymatic activity of Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors:
3.1.3.48;

Protein crystallography data

The structure of Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors, PDB code: 2bgd was solved by E.Black, J.Breed, A.L.Breeze, K.Embrey, R.Garcia, T.W.Gero, L.Godfrey, P.W.Kenny, A.D.Morley, C.A.Minshull, A.D.Pannifer, J.Read, A.Rees, D.J.Russell, D.Toader, J.Tucker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.11 / 2.40
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.908, 88.908, 104.548, 90.00, 90.00, 120.00
R / Rfree (%) 16.4 / 20

Other elements in 2bgd:

The structure of Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors (pdb code 2bgd). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors, PDB code: 2bgd:

Sodium binding site 1 out of 1 in 2bgd

Go back to Sodium Binding Sites List in 2bgd
Sodium binding site 1 out of 1 in the Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1303

b:45.3
occ:1.00
O A:HIS54 3.9 18.5 1.0
CB A:HIS54 4.5 17.9 1.0
ND1 A:HIS54 4.5 15.8 1.0
C A:HIS54 4.7 18.6 1.0
O A:HOH2013 4.7 28.8 1.0
CG A:HIS54 5.0 18.3 1.0
CA A:HIS54 5.0 18.4 1.0

Reference:

E.Black, J.Breed, A.L.Breeze, K.Embrey, R.Garcia, T.W.Gero, L.Godfrey, P.W.Kenny, A.D.Morley, C.A.Minshull, A.D.Pannifer, J.Read, A.Rees, D.J.Russell, D.Toader, J.Tucker. Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors Bioorg.Med.Chem.Lett. V. 15 2503 2005.
ISSN: ISSN 0960-894X
PubMed: 15863305
DOI: 10.1016/J.BMCL.2005.03.068
Page generated: Sun Aug 17 10:10:37 2025

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