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Bromine in PDB 4ge6: Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 7

Enzymatic activity of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 7

All present enzymatic activity of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 7:
3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 7, PDB code: 4ge6 was solved by Z.-Y.Zhang, S.Liu, S.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 40.137, 57.774, 66.702, 77.22, 78.03, 80.01
R / Rfree (%) 19.8 / 21.5

Other elements in 4ge6:

The structure of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 7 also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Iodine (I) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 7 (pdb code 4ge6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 7, PDB code: 4ge6:

Bromine binding site 1 out of 1 in 4ge6

Go back to Bromine Binding Sites List in 4ge6
Bromine binding site 1 out of 1 in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 7


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br601

b:26.8
occ:1.00
BR A:B26601 0.0 26.8 1.0
C27 A:B26601 1.9 28.3 1.0
C28 A:B26601 2.8 25.9 1.0
C26 A:B26601 2.9 27.1 1.0
C30 A:B26601 3.3 28.3 1.0
C29 A:B26601 4.1 25.1 1.0
C25 A:B26601 4.1 26.7 1.0
N A:GLY334 4.6 23.8 1.0
CA A:GLY334 4.6 23.5 1.0
C24 A:B26601 4.7 25.1 1.0
N A:ASP335 4.8 24.0 1.0
C A:GLY334 5.0 23.7 1.0

Reference:

S.Zhang, S.Liu, R.Tao, D.Wei, L.Chen, W.Shen, Z.H.Yu, L.Wang, D.R.Jones, X.C.Dong, Z.Y.Zhang. A Highly Selective and Potent Ptp-MEG2 Inhibitor with Therapeutic Potential For Type 2 Diabetes. J.Am.Chem.Soc. V. 134 18116 2012.
ISSN: ISSN 0002-7863
PubMed: 23075115
DOI: 10.1021/JA308212Y
Page generated: Sat Dec 12 02:19:39 2020

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