Magnesium in PDB 6ehh: Crystal Structure of Mouse MTH1 Mutant L116M with Inhibitor TH588

Enzymatic activity of Crystal Structure of Mouse MTH1 Mutant L116M with Inhibitor TH588

All present enzymatic activity of Crystal Structure of Mouse MTH1 Mutant L116M with Inhibitor TH588:
3.6.1.55; 3.6.1.56;

Protein crystallography data

The structure of Crystal Structure of Mouse MTH1 Mutant L116M with Inhibitor TH588, PDB code: 6ehh was solved by R.Gustafsson, M.Narwal, A.-S.Jemth, I.Almlof, U.Warpman Berglund, T.Helleday, P.Stenmark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	47.40 / 2.40
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	58.673, 142.088, 58.750, 90.00, 107.52, 90.00
*R / R_free (%)*	24.9 / 29.9

Other elements in 6ehh:

The structure of Crystal Structure of Mouse MTH1 Mutant L116M with Inhibitor TH588 also contains other interesting chemical elements:

Copper	(Cu)	4 atoms
Chlorine	(Cl)	8 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mouse MTH1 Mutant L116M with Inhibitor TH588 (pdb code 6ehh). 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 Crystal Structure of Mouse MTH1 Mutant L116M with Inhibitor TH588, PDB code: 6ehh:

Magnesium binding site 1 out of 1 in 6ehh

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Magnesium Binding Sites List in 6ehh

Magnesium binding site 1 out of 1 in the Crystal Structure of Mouse MTH1 Mutant L116M with Inhibitor TH588

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Mouse MTH1 Mutant L116M with Inhibitor TH588 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Mg212 b:33.3 occ:1.00	OD1	C:ASP89	2.2	32.0	1.0
	O	C:THR63	2.3	33.1	1.0
	O1	C:GOL210	2.5	50.1	1.0
	O2	C:GOL210	3.2	49.8	1.0
	C	C:THR63	3.4	33.8	1.0
	CG	C:ASP89	3.4	31.1	1.0
	N	C:ASP89	3.5	28.7	1.0
	C1	C:GOL210	3.7	49.9	1.0
	N	C:HIS90	3.8	29.0	1.0
	CE1	C:HIS65	3.8	32.8	1.0
	O	C:HIS90	3.9	28.0	1.0
	C2	C:GOL210	3.9	50.3	1.0
	CA	C:ALA88	3.9	27.3	1.0
	CB	C:THR63	4.0	34.9	1.0
	ND1	C:HIS65	4.0	32.9	1.0
	CA	C:THR63	4.1	34.5	1.0
	OD2	C:ASP89	4.1	31.2	1.0
	C	C:ALA88	4.2	27.9	1.0
	CB	C:ALA88	4.2	27.4	1.0
	N	C:THR63	4.3	35.0	1.0
	CA	C:ASP89	4.4	29.5	1.0
	N	C:LEU64	4.4	33.1	1.0
	CB	C:ASP89	4.5	30.1	1.0
	CA	C:HIS90	4.5	28.6	1.0
	CB	C:HIS90	4.6	29.0	1.0
	C	C:ASP89	4.6	29.6	1.0
	C	C:HIS90	4.7	28.2	1.0
	CA	C:LEU64	4.7	32.5	1.0
	CG2	C:THR63	4.7	34.6	1.0
	O	C:SER87	5.0	25.4	1.0
	OG1	C:THR63	5.0	35.6	1.0

Reference:

M.Narwal, A.S.Jemth, R.Gustafsson, I.Almlof, U.Warpman Berglund, T.Helleday, P.Stenmark. Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry V. 57 593 2018.
ISSN: ISSN 1520-4995
PubMed: 29281266
DOI: 10.1021/ACS.BIOCHEM.7B01163

Page generated: Mon Sep 30 23:57:39 2024

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