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Magnesium in PDB 1pxh: Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2

Enzymatic activity of Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2

All present enzymatic activity of Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2:
3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2, PDB code: 1pxh was solved by J.P.Sun, A.Fedorov, S.Y.Lee, X.L.Guo, K.Shen, D.S.Lawrence, S.C.Almo, Z.Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.840, 85.678, 88.678, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 20.7

Other elements in 1pxh:

The structure of Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2 also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2 (pdb code 1pxh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2, PDB code: 1pxh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1pxh

Go back to Magnesium Binding Sites List in 1pxh
Magnesium binding site 1 out of 2 in the Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg322

b:54.0
occ:1.00
 O A:HOH609 1.8 44.7 1.0
O A:HOH607 2.1 33.5 1.0
O A:HOH606 2.1 62.0 1.0
O A:HOH605 2.3 47.6 1.0
O A:HOH608 2.4 65.1 1.0
OE2 A:GLU130 4.1 29.7 1.0
OE1 A:GLU130 4.3 26.8 1.0
CD A:GLU130 4.7 27.0 1.0
O A:HOH556 4.7 39.2 1.0
OE1 A:GLU129 4.8 23.3 1.0

Magnesium binding site 2 out of 2 in 1pxh

Go back to Magnesium Binding Sites List in 1pxh
Magnesium binding site 2 out of 2 in the Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Protein Tyrosine Phosphatase 1B with Potent and Selective Bidentate Inhibitor Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg323

b:35.0
occ:1.00
 O A:HOH540 2.6 34.2 1.0
O A:HOH529 2.6 21.9 1.0
CB A:SER146 3.9 24.6 1.0
OE2 A:GLU129 4.2 21.6 1.0
CA A:SER146 4.3 24.2 1.0
O A:HOH556 4.5 39.2 1.0
O A:ILE145 4.6 20.8 1.0
N A:GLU147 4.9 32.0 1.0

Reference:

J.P.Sun, A.A.Fedorov, S.Y.Lee, X.L.Guo, K.Shen, D.S.Lawrence, S.C.Almo, Z.Y.Zhang. Crystal Structure of PTP1B Complexed with A Potent and Selective Bidentate Inhibitor. J.Biol.Chem. V. 278 12406 2003.
ISSN: ISSN 0021-9258
PubMed: 12547827
DOI: 10.1074/JBC.M212491200
Page generated: Mon Dec 14 06:36:37 2020

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