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Iodine in PDB 4ge2: Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 3

Enzymatic activity of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 3

All present enzymatic activity of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 3:
3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 3, PDB code: 4ge2 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 / 1.80
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 39.982, 57.747, 66.544, 77.33, 78.28, 80.27
R / Rfree (%) 18.9 / 22.5

Other elements in 4ge2:

The structure of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 3 also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 3 (pdb code 4ge2). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 3, PDB code: 4ge2:

Iodine binding site 1 out of 1 in 4ge2

Go back to Iodine Binding Sites List in 4ge2
Iodine binding site 1 out of 1 in the Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 3


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Human Protein Tyrosine Phosphatase PTPN9 (MEG2) Complex with Compound 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I601

b:27.8
occ:1.00
I A:75A601 0.0 27.8 1.0
C21 A:75A601 2.2 23.2 1.0
C20 A:75A601 3.1 22.4 1.0
C22 A:75A601 3.1 23.3 1.0
CG A:PRO315 4.1 28.7 1.0
CD A:PRO315 4.4 30.4 1.0
C19 A:75A601 4.4 17.9 1.0
CE2 A:PHE319 4.4 26.7 1.0
C17 A:75A601 4.4 21.6 1.0
O A:HOH793 4.4 25.5 1.0
CB A:PRO315 4.9 28.3 1.0
C18 A:75A601 4.9 22.6 1.0
CD2 A:PHE319 4.9 25.4 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: Sun Aug 11 17:46:06 2024

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