Magnesium in PDB 5rx0: INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z57258487

Enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z57258487

All present enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z57258487:
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 Z57258487, PDB code: 5rx0 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)*	43.09 / 1.43
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	62.560, 79.340, 89.420, 90.00, 90.00, 90.00
*R / R_free (%)*	17.1 / 20.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z57258487 (pdb code 5rx0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z57258487, PDB code: 5rx0:

Magnesium binding site 1 out of 1 in 5rx0

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Magnesium Binding Sites List in 5rx0

Magnesium 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 Z57258487

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z57258487 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg906 b:14.9 occ:0.99	O2	A:PO4905	2.0	14.3	1.0
	O	A:HOH1081	2.0	14.4	1.0
	O	A:HOH1188	2.1	19.2	1.0
	O	A:HOH1050	2.1	16.3	1.0
	O	A:HOH1164	2.1	15.9	1.0
	OE2	A:GLU452	2.2	14.9	1.0
	CD	A:GLU452	3.1	16.2	1.0
	OE1	A:GLU452	3.3	17.6	1.0
	P	A:PO4905	3.3	15.8	1.0
	O3	A:PO4905	3.7	15.5	1.0
	ND2	A:ASN411	4.0	12.7	1.0
	O4	A:PO4905	4.1	16.0	1.0
	O	A:HOH1266	4.1	31.3	1.0
	NE2	A:HIS700	4.2	12.0	1.0
	OD2	A:ASP699	4.2	15.3	1.0
	OD1	A:ASP699	4.2	14.7	1.0
	OD1	A:ASN411	4.3	11.9	1.0
	OH	A:TYR643	4.3	12.6	1.0
	O1	A:PO4905	4.5	15.5	1.0
	CG	A:GLU452	4.5	12.8	1.0
	CG	A:ASN411	4.5	12.5	1.0
	CD2	A:HIS700	4.6	11.3	1.0
	CG	A:ASP699	4.7	14.5	1.0
	CE1	A:TYR643	4.7	11.7	1.0
	CZ	A:TYR643	4.9	12.2	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: Mon Sep 30 02:40:52 2024

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