Calcium in PDB 6y6s: Mouse Galactocerebrosidase Complexed with Galacto-Noeurostegine Gns at pH 6.8

Enzymatic activity of Mouse Galactocerebrosidase Complexed with Galacto-Noeurostegine Gns at pH 6.8

All present enzymatic activity of Mouse Galactocerebrosidase Complexed with Galacto-Noeurostegine Gns at pH 6.8:
3.2.1.46;

Protein crystallography data

The structure of Mouse Galactocerebrosidase Complexed with Galacto-Noeurostegine Gns at pH 6.8, PDB code: 6y6s was solved by J.E.Deane, J.Mcloughlin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	56.07 / 2.10
*Space group*	H 3 2
*Cell size a, b, c (Å), α, β, γ (°)*	248.721, 248.721, 77.326, 90, 90, 120
*R / R_free (%)*	16.3 / 20.1

Other elements in 6y6s:

The structure of Mouse Galactocerebrosidase Complexed with Galacto-Noeurostegine Gns at pH 6.8 also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Mouse Galactocerebrosidase Complexed with Galacto-Noeurostegine Gns at pH 6.8 (pdb code 6y6s). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Mouse Galactocerebrosidase Complexed with Galacto-Noeurostegine Gns at pH 6.8, PDB code: 6y6s:

Calcium binding site 1 out of 1 in 6y6s

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Calcium Binding Sites List in 6y6s

Calcium binding site 1 out of 1 in the Mouse Galactocerebrosidase Complexed with Galacto-Noeurostegine Gns at pH 6.8

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mouse Galactocerebrosidase Complexed with Galacto-Noeurostegine Gns at pH 6.8 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca709 b:60.6 occ:1.00	O	A:ASP477	2.3	46.6	1.0
	O	A:HOH934	2.4	50.8	1.0
	OD1	A:ASP660	2.4	48.6	1.0
	O	A:PHE511	2.5	49.3	1.0
	OD1	A:ASN479	2.5	49.5	1.0
	O	A:HOH929	2.8	54.9	1.0
	CG	A:ASP660	3.1	48.1	1.0
	OD2	A:ASP660	3.1	52.2	1.0
	CG	A:ASN479	3.4	51.9	1.0
	C	A:ASP477	3.6	49.3	1.0
	C	A:PHE511	3.6	46.7	1.0
	ND2	A:ASN479	3.9	48.9	1.0
	OD1	A:ASN661	4.3	50.2	1.0
	CA	A:ASP477	4.3	48.5	1.0
	CB	A:ASP477	4.3	50.6	1.0
	CB	A:PHE511	4.3	39.8	1.0
	CA	A:PHE511	4.4	43.2	1.0
	C	A:PHE478	4.4	50.2	1.0
	N	A:ASN479	4.5	43.9	1.0
	N	A:PHE511	4.5	45.2	1.0
	CB	A:ASP660	4.5	47.5	1.0
	N	A:PHE478	4.5	49.1	1.0
	CB	A:PHE478	4.6	38.0	1.0
	N	A:THR512	4.7	41.4	1.0
	CB	A:ASN479	4.7	48.6	1.0
	O	A:PHE478	4.7	51.4	1.0
	CA	A:PHE478	4.8	48.3	1.0
	CA	A:ASN479	4.8	54.1	1.0
	CA	A:THR512	4.8	44.1	1.0
	CG	A:ASN661	4.8	51.7	1.0
	N	A:ASN661	4.9	44.9	1.0
	ND2	A:ASN661	5.0	48.2	1.0

Reference:

A.Viuff, S.Salamone, J.Mcloughlin, J.E.Deane, H.H.Jensen. The Bicyclic Form of Galacto-Noeurostegine Is A Potent Inhibitor of Beta-Galactocerebrosidase Acs Med.Chem.Lett. 2020.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.0C00377

Page generated: Tue Jul 16 18:28:23 2024

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