Vanadium in PDB 2jlx: Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp- Vanadate

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

The structure of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp- Vanadate, PDB code: 2jlx 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 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	132.537, 105.207, 72.352, 90.00, 117.62, 90.00
R / Rfree (%)	19.565 / 24.506

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

Manganese	(Mn)	2 atoms
Chlorine	(Cl)	1 atom

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

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


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp- Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:V1620 b:27.4 occ:1.00 V A:VO41620 0.0 27.4 1.0 O1 A:VO41620 1.9 27.7 1.0 O4 A:VO41620 1.9 26.7 1.0 O2 A:VO41620 1.9 26.8 1.0 O3 A:VO41620 1.9 26.6 1.0 O3B A:ADP1619 2.5 17.8 1.0 MN A:MN1621 3.5 17.4 1.0 PB A:ADP1619 3.6 15.6 1.0 NH2 A:ARG460 3.7 14.1 1.0 O1B A:ADP1619 3.8 16.3 1.0 OE2 A:GLU285 3.8 27.6 1.0 O A:HOH2042 3.9 7.2 1.0 O A:HOH2196 4.0 28.9 1.0 NZ A:LYS199 4.1 11.2 1.0 N A:GLY414 4.1 21.7 1.0 NH1 A:ARG463 4.2 11.1 1.0 O2B A:ADP1619 4.3 15.1 1.0 CA A:PRO195 4.3 20.1 1.0 NH1 A:ARG460 4.3 12.9 1.0 NH2 A:ARG463 4.3 13.1 1.0 OE1 A:GLN456 4.3 15.9 1.0 CA A:GLY414 4.4 21.1 1.0 N A:GLY196 4.4 20.4 1.0 CB A:PRO195 4.4 19.6 1.0 O A:HOH2198 4.4 4.2 1.0 CZ A:ARG460 4.5 13.5 1.0 O A:HOH2197 4.5 20.4 1.0 CD A:GLU285 4.7 24.5 1.0 OE1 A:GLU285 4.7 24.1 1.0 CE A:LYS199 4.7 14.7 1.0 CZ A:ARG463 4.7 13.5 1.0 O3A A:ADP1619 4.8 20.4 1.0 C A:PRO195 4.9 20.3 1.0

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


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp- Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ B:V1620 b:28.0 occ:1.00 V B:VO41620 0.0 28.0 1.0 O3 B:VO41620 1.9 27.7 1.0 O2 B:VO41620 1.9 25.6 1.0 O4 B:VO41620 1.9 26.3 1.0 O1 B:VO41620 1.9 26.2 1.0 O3B B:ADP1619 2.6 19.0 1.0 MN B:MN1621 3.4 17.7 1.0 OE2 B:GLU285 3.6 26.1 1.0 O B:HOH2172 3.6 26.8 1.0 PB B:ADP1619 3.7 15.4 1.0 O B:HOH2028 3.8 18.1 1.0 O1B B:ADP1619 3.9 19.9 1.0 NH2 B:ARG460 3.9 16.3 1.0 NZ B:LYS199 4.2 14.7 1.0 NH1 B:ARG463 4.2 12.5 1.0 N B:GLY414 4.2 21.6 1.0 O B:HOH2170 4.2 3.4 1.0 NH1 B:ARG460 4.2 14.2 1.0 OE1 B:GLN456 4.3 16.7 1.0 NH2 B:ARG463 4.3 11.2 1.0 O B:HOH2171 4.3 23.7 1.0 CA B:PRO195 4.3 20.1 1.0 O2B B:ADP1619 4.4 17.2 1.0 CA B:GLY414 4.4 21.1 1.0 N B:GLY196 4.5 20.3 1.0 CZ B:ARG460 4.5 15.3 1.0 CB B:PRO195 4.6 19.6 1.0 CD B:GLU285 4.7 22.8 1.0 CZ B:ARG463 4.7 12.6 1.0 CE B:LYS199 4.8 15.5 1.0 O3A B:ADP1619 4.9 20.8 1.0 OE1 B:GLU285 4.9 22.6 1.0 C B:PRO195 5.0 20.2 1.0

D.H.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