Magnesium in PDB 3zup: The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.

Enzymatic activity of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.

All present enzymatic activity of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.:
3.1.3.70;

Protein crystallography data

The structure of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products., PDB code: 3zup was solved by S.Goncalves, A.M.Esteves, H.Santos, N.Borges, P.M.Matias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	42.161 / 1.80
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	39.368, 88.049, 146.457, 90.00, 90.00, 90.00
*R / R_free (%)*	18.04 / 22.97

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products. (pdb code 3zup). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products., PDB code: 3zup:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3zup

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Magnesium Binding Sites List in 3zup

Magnesium binding site 1 out of 2 in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg1254 b:18.9 occ:1.00	O	A:ASP8	2.2	28.0	1.0
	OD2	A:ASP6	2.2	38.6	1.0
	O	A:HOH2004	2.3	36.3	1.0
	OD1	A:ASP202	2.3	30.6	1.0
	O	A:HOH2007	2.3	32.8	1.0
	O	A:HOH2006	2.4	34.2	1.0
	CG	A:ASP6	3.0	29.9	1.0
	O3	A:PO41255	3.0	40.2	0.4
	OD1	A:ASP6	3.1	32.5	1.0
	CG	A:ASP202	3.3	35.6	1.0
	C	A:ASP8	3.4	26.0	1.0
	OD2	A:ASP202	3.7	36.1	1.0
	O	A:GLY165	4.1	28.2	1.0
	O	A:HOH2005	4.1	32.8	1.0
	O	A:HOH2185	4.1	35.2	1.0
	OD2	A:ASP206	4.2	24.6	1.0
	CA	A:ASP8	4.2	24.5	1.0
	OG	A:SER203	4.2	32.1	1.0
	N	A:ASP8	4.3	25.1	1.0
	N	A:GLY9	4.3	26.0	1.0
	CB	A:ASP6	4.4	19.2	1.0
	CB	A:ASP8	4.4	31.8	1.0
	CA	A:GLY9	4.4	30.1	1.0
	OG1	A:THR10	4.5	26.7	1.0
	P	A:PO41255	4.5	19.2	0.4
	CB	A:ASP202	4.6	22.9	1.0
	CB	A:SER203	4.7	31.5	1.0
	C	A:GLY9	4.8	35.0	1.0
	N	A:ASP202	4.8	21.5	1.0
	N	A:THR10	4.8	22.8	1.0
	C	A:LEU7	4.9	21.7	1.0
	O1	A:PO41255	4.9	38.1	0.4
	O13	A:2M81256	5.0	48.5	0.7
	N	A:SER203	5.0	21.4	1.0

Magnesium binding site 2 out of 2 in 3zup

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Magnesium Binding Sites List in 3zup

Magnesium binding site 2 out of 2 in the The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products.

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The 3-Dimensional Structure of Mpgp From Thermus Thermophilus HB27, in Complex with the Alpha- Mannosylglycerate and Orthophosphate Reaction Products. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mg1254 b:25.8 occ:1.00	OD2	B:ASP6	2.2	36.6	1.0
	O	B:ASP8	2.3	31.4	1.0
	OD1	B:ASP202	2.4	33.5	1.0
	O	B:HOH2006	2.4	38.9	1.0
	O	B:HOH2009	2.4	36.0	1.0
	O	B:HOH2007	2.4	31.2	1.0
	O1	B:PO41255	3.0	42.9	0.5
	CG	B:ASP6	3.1	33.1	1.0
	CG	B:ASP202	3.3	36.5	1.0
	OD1	B:ASP6	3.4	39.4	1.0
	C	B:ASP8	3.5	29.0	1.0
	OD2	B:ASP202	3.6	37.4	1.0
	O	B:HOH2110	3.6	48.3	0.5
	O	B:HOH2005	4.1	28.1	1.0
	O	B:GLY165	4.1	35.3	1.0
	OG	B:SER203	4.2	32.4	1.0
	OD2	B:ASP206	4.3	31.3	1.0
	CA	B:ASP8	4.3	28.6	1.0
	N	B:ASP8	4.4	26.5	1.0
	P	B:PO41255	4.4	28.4	0.5
	CB	B:ASP6	4.4	25.7	1.0
	OG1	B:THR10	4.4	30.0	1.0
	N	B:GLY9	4.5	34.3	1.0
	CB	B:ASP8	4.5	35.2	1.0
	CA	B:GLY9	4.6	37.2	1.0
	O13	B:2M81256	4.6	48.1	0.7
	CB	B:ASP202	4.6	29.4	1.0
	CB	B:SER203	4.7	32.6	1.0
	O3	B:PO41255	4.7	44.3	0.5
	C	B:GLY9	4.8	36.0	1.0
	N	B:ASP202	4.9	29.8	1.0
	N	B:THR10	4.9	26.6	1.0
	C	B:LEU7	4.9	30.7	1.0
	C23	B:2M81256	5.0	45.5	0.7

Reference:

S.Goncalves, A.M.Esteves, H.Santos, N.Borges, P.M.Matias. The Three-Dimensional Structure of Mannosyl-3- Phosphoglycerate Phosphatase From Thermus Thermophilus HB27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily. Biochemistry V. 50 9551 2011.
ISSN: ISSN 0006-2960
PubMed: 21961705
DOI: 10.1021/BI201171H

Page generated: Thu Aug 15 14:05:22 2024

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