Nickel in PDB 6g3y: Structure of the Mouse 8-Oxoguanine Dna Glycosylase MOGG1 in Complex with Ligand TH5675

Enzymatic activity of Structure of the Mouse 8-Oxoguanine Dna Glycosylase MOGG1 in Complex with Ligand TH5675

All present enzymatic activity of Structure of the Mouse 8-Oxoguanine Dna Glycosylase MOGG1 in Complex with Ligand TH5675:
4.2.99.18;

Protein crystallography data

The structure of Structure of the Mouse 8-Oxoguanine Dna Glycosylase MOGG1 in Complex with Ligand TH5675, PDB code: 6g3y was solved by G.Masuyer, T.Helleday, P.Stenmark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	84.58 / 2.51
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	80.817, 81.357, 169.157, 90.00, 90.00, 90.00
*R / R_free (%)*	23.4 / 28.2

Other elements in 6g3y:

The structure of Structure of the Mouse 8-Oxoguanine Dna Glycosylase MOGG1 in Complex with Ligand TH5675 also contains other interesting chemical elements:

Iodine

(I)

3 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the Structure of the Mouse 8-Oxoguanine Dna Glycosylase MOGG1 in Complex with Ligand TH5675 (pdb code 6g3y). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Structure of the Mouse 8-Oxoguanine Dna Glycosylase MOGG1 in Complex with Ligand TH5675, PDB code: 6g3y:

Nickel binding site 1 out of 1 in 6g3y

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Nickel Binding Sites List in 6g3y

Nickel binding site 1 out of 1 in the Structure of the Mouse 8-Oxoguanine Dna Glycosylase MOGG1 in Complex with Ligand TH5675

Mono view

Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of the Mouse 8-Oxoguanine Dna Glycosylase MOGG1 in Complex with Ligand TH5675 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ni402 b:40.1 occ:1.00	NE2	B:HIS276	2.2	43.9	1.0
	NE2	B:HIS282	2.2	46.9	1.0
	NE2	C:HIS282	2.2	48.5	1.0
	NE2	A:HIS276	2.2	42.5	1.0
	NE2	A:HIS282	2.2	41.0	1.0
	NE2	C:HIS276	2.2	43.0	1.0
	CD2	B:HIS276	3.1	43.6	1.0
	CE1	C:HIS282	3.1	48.8	1.0
	CE1	A:HIS282	3.1	41.7	1.0
	CE1	A:HIS276	3.1	43.9	1.0
	CD2	B:HIS282	3.2	47.3	1.0
	CE1	B:HIS276	3.2	44.4	1.0
	CE1	B:HIS282	3.2	47.0	1.0
	CD2	C:HIS276	3.2	42.1	1.0
	CD2	A:HIS276	3.2	43.0	1.0
	CE1	C:HIS276	3.2	44.0	1.0
	CD2	A:HIS282	3.2	41.6	1.0
	CD2	C:HIS282	3.2	46.5	1.0
	CG	B:HIS276	4.2	42.8	1.0
	ND1	B:HIS276	4.3	42.5	1.0
	ND1	A:HIS276	4.3	42.5	1.0
	ND1	C:HIS282	4.3	46.6	1.0
	ND1	A:HIS282	4.3	41.4	1.0
	ND1	B:HIS282	4.3	47.0	1.0
	ND1	C:HIS276	4.3	41.9	1.0
	CG	B:HIS282	4.3	47.9	1.0
	CG	A:HIS276	4.3	43.3	1.0
	CG	C:HIS276	4.3	42.3	1.0
	CG	C:HIS282	4.3	46.5	1.0
	CG	A:HIS282	4.3	41.6	1.0

Reference:

T.Visnes, A.Cazares-Korner, W.Hao, O.Wallner, G.Masuyer, O.Loseva, O.Mortusewicz, E.Wiita, A.Sarno, A.Manoilov, J.Astorga-Wells, A.S.Jemth, L.Pan, K.Sanjiv, S.Karsten, C.Gokturk, M.Grube, E.J.Homan, B.M.F.Hanna, C.B.J.Paulin, T.Pham, A.Rasti, U.W.Berglund, C.Von Nicolai, C.Benitez-Buelga, T.Koolmeister, D.Ivanic, P.Iliev, M.Scobie, H.E.Krokan, P.Baranczewski, P.Artursson, M.Altun, A.J.Jensen, C.Kalderen, X.Ba, R.A.Zubarev, P.Stenmark, I.Boldogh, T.Helleday. Small-Molecule Inhibitor of OGG1 Suppresses Proinflammatory Gene Expression and Inflammation. Science V. 362 834 2018.
ISSN: ESSN 1095-9203
PubMed: 30442810
DOI: 10.1126/SCIENCE.AAR8048

Page generated: Thu Oct 10 08:27:48 2024

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