Manganese in PDB 2jlz: Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp

All present enzymatic activity of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp:
3.4.21.91;

The structure of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp, PDB code: 2jlz was solved by D.H.Luo, T.Xu, R.P.Watson, D.S.Becker, A.Sampath, W.Jahnke, S.S.Yeong, C.H.Wang, S.P.Lim, S.G.Vasudevan, J.Lescar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.2
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	133.023, 104.794, 72.974, 90.00, 115.91, 90.00
R / Rfree (%)	19.202 / 23.841

The structure of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Manganese atom in the Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp (pdb code 2jlz). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp, PDB code: 2jlz:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1620 b:27.5 occ:1.00 O A:HOH2172 2.2 25.7 1.0 O1B A:ADP1619 2.2 29.2 1.0 O A:HOH2171 2.2 28.2 1.0 OG1 A:THR200 2.3 33.2 1.0 O A:HOH2173 2.3 23.5 1.0 O A:HOH2174 2.4 17.7 1.0 PB A:ADP1619 3.2 28.3 1.0 CB A:THR200 3.3 32.6 1.0 O3B A:ADP1619 3.3 30.8 1.0 OE2 A:GLU285 3.6 32.9 1.0 OD2 A:ASP284 4.0 30.7 1.0 CA A:GLY414 4.0 33.6 1.0 N A:THR200 4.1 32.5 1.0 O1A A:ADP1619 4.2 30.5 1.0 CG2 A:THR200 4.3 32.6 1.0 O3A A:ADP1619 4.3 28.9 1.0 CA A:THR200 4.3 32.6 1.0 O2B A:ADP1619 4.4 28.8 1.0 OD1 A:ASP284 4.4 31.3 1.0 O A:HOH2109 4.5 20.9 1.0 O A:GLY414 4.5 33.5 1.0 CG A:ASP284 4.6 29.9 1.0 PA A:ADP1619 4.6 28.3 1.0 CB A:LYS199 4.7 32.0 1.0 CD A:GLU285 4.7 32.2 1.0 O A:HOH2016 4.8 15.4 1.0 C A:GLY414 4.8 33.5 1.0 CE A:LYS199 4.8 29.5 1.0 N A:GLY414 4.8 33.8 1.0 NZ A:LYS199 4.9 28.3 1.0 O2A A:ADP1619 4.9 26.9 1.0 NH2 A:ARG463 5.0 27.4 1.0

Manganese binding site 2 out of 2 in the Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1620 b:26.0 occ:1.00 O1B B:ADP1619 2.0 28.2 1.0 OG1 B:THR200 2.1 33.2 1.0 O B:HOH2166 2.2 24.3 1.0 O B:HOH2163 2.2 24.7 1.0 O B:HOH2165 2.3 15.8 1.0 O B:HOH2164 2.4 20.9 1.0 CB B:THR200 3.2 32.7 1.0 PB B:ADP1619 3.2 28.0 1.0 O3B B:ADP1619 3.5 28.4 1.0 OE2 B:GLU285 3.7 33.7 1.0 OD2 B:ASP284 3.9 30.7 1.0 CA B:GLY414 3.9 33.6 1.0 O1A B:ADP1619 3.9 28.5 1.0 N B:THR200 4.1 32.5 1.0 CG2 B:THR200 4.1 32.4 1.0 CA B:THR200 4.2 32.5 1.0 O3A B:ADP1619 4.3 28.6 1.0 O2B B:ADP1619 4.3 25.8 1.0 OD1 B:ASP284 4.4 31.7 1.0 O B:GLY414 4.5 33.5 1.0 PA B:ADP1619 4.5 28.6 1.0 CG B:ASP284 4.6 29.7 1.0 O B:HOH2101 4.6 22.6 1.0 C B:GLY414 4.7 33.7 1.0 N B:GLY414 4.7 33.9 1.0 CE B:LYS199 4.8 29.8 1.0 CB B:LYS199 4.8 31.7 1.0 CD B:GLU285 4.8 32.8 1.0 O B:HOH2014 4.9 17.2 1.0 O2A B:ADP1619 5.0 29.0 1.0

D.Luo, T.Xu, R.P.Watson, D.Scherer-Becker, A.Sampath, W.Jahnke, S.S.Yeong, C.H.Wang, S.P.Lim, A.Strongin, S.G.Vasudevan, J.Lescar. Insights Into Rna Unwinding and Atp Hydrolysis By the Flavivirus NS3 Protein. Embo J. V. 27 3209 2008.
ISSN: ISSN 0261-4189
PubMed: 19008861
DOI: 10.1038/EMBOJ.2008.232