Fluorine in PDB 2vey: Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor

Enzymatic activity of Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor

All present enzymatic activity of Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor:
3.1.3.48;

Protein crystallography data

The structure of Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor, PDB code: 2vey was solved by B.Douty, B.Wayland, P.J.Ala, M.J.Bower, J.Pruitt, L.Bostrom, M.Wei, R.Klabe, L.Gonneville, R.Wynn, T.C.Burn, P.C.C.Liu, A.P.Combs, E.W.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	7.00 / 2.20
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	66.770, 72.210, 87.930, 90.00, 90.00, 90.00
*R / R_free (%)*	20.8 / 26.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor (pdb code 2vey). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor, PDB code: 2vey:

Fluorine binding site 1 out of 1 in 2vey

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Fluorine Binding Sites List in 2vey

Fluorine binding site 1 out of 1 in the Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F1300 b:35.9 occ:1.00	F1	A:IZ51300	0.0	35.9	1.0
	C10	A:IZ51300	1.5	30.2	1.0
	C9	A:IZ51300	2.5	30.0	1.0
	C26	A:IZ51300	2.5	31.0	1.0
	O	A:HOH2058	3.1	30.9	1.0
	O	A:HOH2012	3.4	47.5	1.0
	NH2	A:ARG47	3.5	36.6	1.0
	C8	A:IZ51300	3.8	28.1	1.0
	C24	A:IZ51300	3.9	31.9	1.0
	O	A:HOH2013	4.0	47.3	1.0
	CZ	A:ARG47	4.3	33.5	1.0
	OD2	A:ASP48	4.3	25.8	1.0
	C7	A:IZ51300	4.4	29.3	1.0
	NE	A:ARG47	4.6	33.3	1.0
	CG	A:ASP48	4.8	26.4	1.0
	CB	A:ASP48	4.8	24.3	1.0

Reference:

B.Douty, B.Wayland, P.J.Ala, M.J.Bower, J.Pruitt, L.Bostrom, M.Wei, R.Klabe, L.Gonneville, R.Wynn, T.C.Burn, P.C.C.Liu, A.P.Combs, E.W.Yue. Isothiazolidinone Inhibitors of PTP1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett. V. 18 66 2008.
ISSN: ISSN 0960-894X
PubMed: 18037290
DOI: 10.1016/J.BMCL.2007.11.012

Page generated: Wed Jul 31 16:09:22 2024

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