Chlorine in PDB 2fom: Dengue Virus NS2B/NS3 Protease

All present enzymatic activity of Dengue Virus NS2B/NS3 Protease:
3.4.21.91;

The structure of Dengue Virus NS2B/NS3 Protease, PDB code: 2fom was solved by N.Schiering, M.Kroemer, M.Renatus, P.Erbel, A.D'arcy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	61.307, 61.109, 113.877, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.9

The binding sites of Chlorine atom in the Dengue Virus NS2B/NS3 Protease (pdb code 2fom). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Dengue Virus NS2B/NS3 Protease, PDB code: 2fom:

Chlorine binding site 1 out of 1 in the Dengue Virus NS2B/NS3 Protease


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dengue Virus NS2B/NS3 Protease within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:11.9 occ:1.00 N B:VAL146 3.2 8.6 1.0 O B:HOH290 3.2 27.1 1.0 N B:GLU86 3.3 14.6 1.0 CE B:LYS42 3.6 15.0 1.0 CD B:LYS42 3.6 13.2 1.0 CG B:GLU86 3.7 19.2 1.0 O B:HOH261 3.8 22.9 1.0 CA B:LEU85 3.8 12.3 1.0 NZ B:LYS42 3.8 22.1 1.0 CA B:LYS145 3.9 10.5 1.0 CB B:VAL146 3.9 9.3 1.0 C B:LYS145 4.0 10.0 1.0 CG2 B:VAL146 4.1 9.1 1.0 CA B:VAL146 4.1 8.3 1.0 C B:LEU85 4.1 14.7 1.0 CD2 B:LEU85 4.1 11.9 1.0 O B:HOH303 4.1 28.1 1.0 CB B:LYS145 4.2 10.3 1.0 O B:VAL146 4.3 10.3 1.0 CD B:LYS145 4.3 19.2 1.0 CA B:GLU86 4.3 16.4 1.0 N B:GLY87 4.3 15.8 1.0 CB B:LEU85 4.4 11.3 1.0 O B:LYS84 4.5 12.3 1.0 OE2 B:GLU86 4.6 21.3 1.0 CB B:GLU86 4.6 16.6 1.0 C B:VAL146 4.7 9.1 1.0 CD B:GLU86 4.7 19.4 1.0 C B:GLU86 4.8 16.1 1.0 CG B:LYS145 4.9 15.2 1.0 N B:LEU85 4.9 11.9 1.0 CG B:LEU85 4.9 12.1 1.0

P.Erbel, N.Schiering, A.D'arcy, M.Renatus, M.Kroemer, S.P.Lim, Z.Yin, T.H.Keller, S.G.Vasudevan, U.Hommel. Structural Basis For the Activation of Flaviviral NS3 Proteases From Dengue and West Nile Virus. Nat.Struct.Mol.Biol. V. 13 372 2006.
ISSN: ISSN 1545-9993
PubMed: 16532006
DOI: 10.1038/NSMB1073