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Magnesium in PDB 5t19: Structure of PTP1B Complexed with N-(3'-(1,1-Dioxido-4-Oxo-1,2,5- Thiadiazolidin-2-Yl)-4'-Methyl-[1,1'-Biphenyl]-4-Yl)Acetamide

Enzymatic activity of Structure of PTP1B Complexed with N-(3'-(1,1-Dioxido-4-Oxo-1,2,5- Thiadiazolidin-2-Yl)-4'-Methyl-[1,1'-Biphenyl]-4-Yl)Acetamide

All present enzymatic activity of Structure of PTP1B Complexed with N-(3'-(1,1-Dioxido-4-Oxo-1,2,5- Thiadiazolidin-2-Yl)-4'-Methyl-[1,1'-Biphenyl]-4-Yl)Acetamide:
3.1.3.48;

Protein crystallography data

The structure of Structure of PTP1B Complexed with N-(3'-(1,1-Dioxido-4-Oxo-1,2,5- Thiadiazolidin-2-Yl)-4'-Methyl-[1,1'-Biphenyl]-4-Yl)Acetamide, PDB code: 5t19 was solved by A.R.Laciak, J.J.Tanner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.13 / 2.10
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.261, 88.261, 103.755, 90.00, 90.00, 120.00
R / Rfree (%) 15.1 / 19.2

Other elements in 5t19:

The structure of Structure of PTP1B Complexed with N-(3'-(1,1-Dioxido-4-Oxo-1,2,5- Thiadiazolidin-2-Yl)-4'-Methyl-[1,1'-Biphenyl]-4-Yl)Acetamide also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of PTP1B Complexed with N-(3'-(1,1-Dioxido-4-Oxo-1,2,5- Thiadiazolidin-2-Yl)-4'-Methyl-[1,1'-Biphenyl]-4-Yl)Acetamide (pdb code 5t19). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of PTP1B Complexed with N-(3'-(1,1-Dioxido-4-Oxo-1,2,5- Thiadiazolidin-2-Yl)-4'-Methyl-[1,1'-Biphenyl]-4-Yl)Acetamide, PDB code: 5t19:

Magnesium binding site 1 out of 1 in 5t19

Go back to Magnesium Binding Sites List in 5t19
Magnesium binding site 1 out of 1 in the Structure of PTP1B Complexed with N-(3'-(1,1-Dioxido-4-Oxo-1,2,5- Thiadiazolidin-2-Yl)-4'-Methyl-[1,1'-Biphenyl]-4-Yl)Acetamide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of PTP1B Complexed with N-(3'-(1,1-Dioxido-4-Oxo-1,2,5- Thiadiazolidin-2-Yl)-4'-Methyl-[1,1'-Biphenyl]-4-Yl)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:50.0
occ:1.00
 O A:HOH530 2.2 24.6 1.0
O A:HOH641 2.2 57.4 1.0
OE1 A:GLU130 4.0 31.8 1.0
OE2 A:GLU130 4.1 33.0 1.0
OE1 A:GLU129 4.1 30.6 1.0
O A:HOH643 4.4 37.0 1.0
CD A:GLU130 4.5 39.8 1.0
O A:HOH655 4.7 39.6 1.0

Reference:

P.Punthasee, A.R.Laciak, A.H.Cummings, K.V.Ruddraraju, S.M.Lewis, R.Hillebrand, H.Singh, J.J.Tanner, K.S.Gates. Covalent Allosteric Inactivation of Protein Tyrosine Phosphatase 1B (PTP1B) By An Inhibitor-Electrophile Conjugate. Biochemistry V. 56 2051 2017.
ISSN: ISSN 1520-4995
PubMed: 28345882
DOI: 10.1021/ACS.BIOCHEM.7B00151
Page generated: Mon Sep 30 04:42:36 2024

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