Fluorine in PDB 5rw8: INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z28290384

Enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z28290384

All present enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z28290384:
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 Z28290384, PDB code: 5rw8 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)*	49.24 / 1.27
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	62.660, 79.420, 89.570, 90.00, 90.00, 90.00
*R / R_free (%)*	17.5 / 19.5

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 Z28290384 (pdb code 5rw8). 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 Z28290384, PDB code: 5rw8:

Fluorine binding site 1 out of 1 in 5rw8

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Fluorine Binding Sites List in 5rw8

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 Z28290384

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 Z28290384 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F901 b:33.6 occ:0.57	F18	A:WN1901	0.0	33.6	0.6
	C17	A:WN1901	1.4	31.0	0.6
	C16	A:WN1901	2.4	30.2	0.6
	C12	A:WN1901	2.4	28.9	0.6
	O	A:VAL479	2.6	12.2	1.0
	N11	A:WN1901	2.8	28.8	0.6
	C	A:VAL479	2.8	12.0	1.0
	O	A:THR478	2.9	16.9	1.0
	N	A:ALA480	3.2	11.2	1.0
	C	A:THR478	3.4	14.2	1.0
	CA	A:ALA480	3.5	10.8	1.0
	CG2	A:THR478	3.6	14.2	1.0
	C15	A:WN1901	3.6	31.1	0.6
	C13	A:WN1901	3.7	29.6	0.6
	CA	A:VAL479	3.7	12.1	1.0
	N	A:VAL479	3.8	11.7	1.0
	C09	A:WN1901	3.9	27.9	0.6
	CB	A:THR478	4.0	14.9	1.0
	C14	A:WN1901	4.1	30.1	0.6
	O	A:HOH1304	4.2	17.5	1.0
	C	A:ALA480	4.4	10.9	1.0
	CA	A:THR478	4.4	14.4	1.0
	O10	A:WN1901	4.4	29.6	0.6
	CB	A:ALA480	4.7	11.7	1.0
	N	A:ILE481	4.8	10.7	1.0
	C07	A:WN1901	5.0	26.2	0.6

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: Thu Aug 1 13:59:48 2024

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