Manganese in PDB 2whx: A Second Conformation of the NS3 Protease-Helicase From Dengue Virus

Enzymatic activity of A Second Conformation of the NS3 Protease-Helicase From Dengue Virus

All present enzymatic activity of A Second Conformation of the NS3 Protease-Helicase From Dengue Virus:
3.4.21.91; 3.6.1.15;

Protein crystallography data

The structure of A Second Conformation of the NS3 Protease-Helicase From Dengue Virus, PDB code: 2whx was solved by D.Luo, J.Lescar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.87 / 2.20
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	52.420, 87.720, 75.779, 90.00, 92.90, 90.00
*R / R_free (%)*	22.806 / 27.233

Other elements in 2whx:

The structure of A Second Conformation of the NS3 Protease-Helicase From Dengue Virus also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the A Second Conformation of the NS3 Protease-Helicase From Dengue Virus (pdb code 2whx). 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 A Second Conformation of the NS3 Protease-Helicase From Dengue Virus, PDB code: 2whx:

Manganese binding site 1 out of 1 in 2whx

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Manganese Binding Sites List in 2whx

Manganese binding site 1 out of 1 in the A Second Conformation of the NS3 Protease-Helicase From Dengue Virus

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of A Second Conformation of the NS3 Protease-Helicase From Dengue Virus within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn1620 b:25.1 occ:1.00	O	A:HOH2135	2.1	19.9	1.0
	OE2	A:GLU285	2.2	22.4	1.0
	O	A:HOH2136	2.2	16.5	1.0
	O2B	A:ADP1619	2.2	26.4	1.0
	OG1	A:THR200	2.3	17.6	1.0
	O	A:HOH2137	2.5	14.2	1.0
	CD	A:GLU285	3.1	21.6	1.0
	OE1	A:GLU285	3.3	22.6	1.0
	CB	A:THR200	3.4	16.9	1.0
	PB	A:ADP1619	3.4	27.8	1.0
	O1B	A:ADP1619	3.6	26.1	1.0
	O1A	A:ADP1619	3.9	29.4	1.0
	OD2	A:ASP284	4.0	16.9	1.0
	O	A:HOH2031	4.0	21.2	1.0
	N	A:THR200	4.2	17.1	1.0
	OD1	A:ASP284	4.2	15.1	1.0
	O	A:HOH2080	4.3	14.0	1.0
	CA	A:THR200	4.4	17.3	1.0
	O3A	A:ADP1619	4.4	27.8	1.0
	CG2	A:THR200	4.4	17.1	1.0
	O	A:HOH2094	4.4	21.6	1.0
	CG	A:ASP284	4.5	16.5	1.0
	CG	A:GLU285	4.5	20.2	1.0
	O3B	A:ADP1619	4.5	26.3	1.0
	PA	A:ADP1619	4.6	29.6	1.0
	O	A:HOH2079	4.7	18.3	1.0
	NZ	A:LYS199	4.9	17.3	1.0
	CB	A:LYS199	4.9	17.7	1.0
	O2A	A:ADP1619	4.9	29.0	1.0
	CL	A:CL1621	4.9	37.2	1.0
	NH2	A:ARG463	5.0	19.0	1.0
	CA	A:GLY414	5.0	19.3	1.0

Reference:

D.Luo, N.Wei, D.N.Doan, P.N.Paradkar, Y.Chong, A.D.Davidson, M.Kotaka, J.Lescar, S.G.Vasudevan. Flexibility Between the Protease and Helicase Domains of the Dengue Virus NS3 Protein Conferred By the Linker Region and Its Functional Implications. J.Biol.Chem. V. 285 18817 2010.
ISSN: ISSN 0021-9258
PubMed: 20375022
DOI: 10.1074/JBC.M109.090936

Page generated: Sat Oct 5 15:23:52 2024

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