Manganese in PDB 3ioi: Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (1GW)

Enzymatic activity of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (1GW)

All present enzymatic activity of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (1GW):
2.4.1.37; 2.4.1.40;

Protein crystallography data

The structure of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (1GW), PDB code: 3ioi was solved by T.Pesnot, R.Jorgensen, M.M.Palcic, G.K.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.64 / 1.45
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	52.160, 148.440, 79.000, 90.00, 90.00, 90.00
*R / R_free (%)*	15.9 / 17.5

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (1GW) (pdb code 3ioi). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (1GW), PDB code: 3ioi:

Manganese binding site 1 out of 1 in 3ioi

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Manganese Binding Sites List in 3ioi

Manganese binding site 1 out of 1 in the Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (1GW)

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (1GW) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn1 b:19.3 occ:1.00	O	A:HOH380	2.1	23.2	1.0
	O1A	A:1GW355	2.1	18.5	1.0
	OD2	A:ASP211	2.2	16.3	1.0
	O2B	A:1GW355	2.2	19.2	1.0
	OD1	A:ASP213	2.3	14.8	1.0
	OD2	A:ASP213	2.5	22.0	1.0
	CG	A:ASP213	2.7	16.5	1.0
	CG	A:ASP211	3.2	14.1	1.0
	PB	A:1GW355	3.3	21.3	1.0
	PA	A:1GW355	3.5	18.2	1.0
	CB	A:ASP211	3.6	9.9	1.0
	O	A:HOH431	3.7	34.5	1.0
	O3D	A:1GW355	3.7	15.9	1.0
	O3A	A:1GW355	3.8	21.3	1.0
	O3B	A:1GW355	3.9	23.4	1.0
	O2'	A:1GW355	4.0	27.4	1.0
	CB	A:ASP213	4.2	13.6	1.0
	C5D	A:1GW355	4.3	16.3	1.0
	OD1	A:ASP211	4.3	16.5	1.0
	NZ	A:LYS346	4.4	56.5	1.0
	O5D	A:1GW355	4.4	16.2	1.0
	O2A	A:1GW355	4.5	23.2	1.0
	C3D	A:1GW355	4.6	14.8	1.0
	O	A:HOH486	4.8	33.6	1.0
	O1B	A:1GW355	4.8	31.8	1.0
	C4D	A:1GW355	4.8	15.8	1.0
	SD	A:MET214	4.9	17.3	1.0
	C1'	A:1GW355	4.9	33.6	1.0
	O	A:ASP213	4.9	13.1	1.0
	C2'	A:1GW355	4.9	29.4	1.0
	N	A:ASP213	5.0	10.1	1.0
	CA	A:ASP211	5.0	10.0	1.0

Reference:

T.Pesnot, R.Jorgensen, M.M.Palcic, G.K.Wagner. Structural and Mechanistic Basis For A New Mode of Glycosyltransferase Inhibition. Nat.Chem.Biol. V. 6 321 2010.
ISSN: ISSN 1552-4450
PubMed: 20364127
DOI: 10.1038/NCHEMBIO.343

Page generated: Sat Oct 5 16:35:37 2024

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