Fluorine in PDB 5rx6: INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z30620520

Enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z30620520

All present enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z30620520:
3.1.3.36; 3.1.3.56; 3.1.3.86;

Protein crystallography data

The structure of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z30620520, PDB code: 5rx6 was solved by W.J.Bradshaw, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	44.90 / 1.45
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	62.750, 79.720, 89.720, 90.00, 90.00, 90.00
*R / R_free (%)*	17.5 / 20.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z30620520 (pdb code 5rx6). 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 INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z30620520, PDB code: 5rx6:

Fluorine binding site 1 out of 1 in 5rx6

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Fluorine Binding Sites List in 5rx6

Fluorine binding site 1 out of 1 in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z30620520

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z30620520 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F901 b:47.9 occ:0.84	F	A:GX4901	0.0	47.9	0.8
	C	A:GX4901	1.4	48.6	0.8
	C1	A:GX4901	2.4	49.7	0.8
	C5	A:GX4901	2.4	51.1	0.8
	CG2	A:VAL479	3.6	13.2	1.0
	CA	A:GLU498	3.6	21.7	1.0
	C2	A:GX4901	3.7	51.8	0.8
	C4	A:GX4901	3.7	53.3	0.8
	CG	A:GLU498	4.0	27.1	1.0
	CB	A:GLU498	4.0	22.0	1.0
	CD1	A:ILE501	4.0	18.4	1.0
	O	A:GLU498	4.1	23.0	1.0
	C3	A:GX4901	4.2	55.0	0.8
	CB	A:ILE501	4.2	16.8	1.0
	CG2	A:ILE501	4.3	18.0	1.0
	CB	A:LYS477	4.4	20.1	1.0
	C	A:GLU498	4.4	21.2	1.0
	N	A:GLU498	4.4	20.6	1.0
	CB	A:VAL479	4.5	13.4	1.0
	CA	A:VAL479	4.6	14.0	1.0
	O	A:HIS497	4.6	17.5	1.0
	CB	A:ALA493	4.7	14.8	1.0
	CG1	A:ILE501	4.7	16.3	1.0
	C	A:HIS497	4.8	18.3	1.0
	CG1	A:VAL479	4.9	13.6	1.0
	N	A:VAL479	4.9	14.4	1.0

Reference:

W.J.Bradshaw, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi. INPP5D Pandda Analysis Group Deposition To Be Published.

Page generated: Tue Jul 15 06:59:34 2025

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