Cadmium in PDB 3l6p: Crystal Structure of Dengue Virus 1 NS2B/NS3 Protease

All present enzymatic activity of Crystal Structure of Dengue Virus 1 NS2B/NS3 Protease:
2.1.1.56; 2.1.1.57; 2.7.7.48; 3.4.21.91; 3.6.1.15; 3.6.4.13;

The structure of Crystal Structure of Dengue Virus 1 NS2B/NS3 Protease, PDB code: 3l6p was solved by S.Chandramouli, J.S.Joseph, S.Daudenarde, J.Gatchalian, C.Cornillez-Ty, P.Kuhn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.95 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.721, 60.848, 161.644, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 28.4

The structure of Crystal Structure of Dengue Virus 1 NS2B/NS3 Protease also contains other interesting chemical elements:

Nickel

(Ni)

3 atoms

The binding sites of Cadmium atom in the Crystal Structure of Dengue Virus 1 NS2B/NS3 Protease (pdb code 3l6p). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total only one binding site of Cadmium was determined in the Crystal Structure of Dengue Virus 1 NS2B/NS3 Protease, PDB code: 3l6p:

Cadmium binding site 1 out of 1 in the Crystal Structure of Dengue Virus 1 NS2B/NS3 Protease


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Dengue Virus 1 NS2B/NS3 Protease within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd304 b:47.5 occ:1.00 ND1 A:HIS23 1.9 38.7 1.0 ND1 A:HIS28 2.3 58.5 1.0 OE2 A:GLU144 2.5 43.8 1.0 OE1 A:GLU144 2.5 37.4 1.0 CE1 A:HIS23 2.5 41.4 1.0 O A:HOH416 2.6 39.1 1.0 CD A:GLU144 2.8 33.7 1.0 CE1 A:HIS28 3.2 57.5 1.0 CG A:HIS23 3.2 48.1 1.0 CG A:HIS28 3.3 57.2 1.0 CB A:HIS28 3.6 53.5 1.0 NE2 A:HIS23 3.8 42.0 1.0 CB A:HIS23 3.9 51.4 1.0 CD2 A:HIS23 4.1 42.7 1.0 CA A:HIS28 4.2 53.3 1.0 NE2 A:HIS28 4.3 61.4 1.0 CG A:GLU144 4.4 40.4 1.0 NE2 A:GLN160 4.4 39.0 1.0 CD2 A:HIS28 4.4 59.5 1.0 CG A:GLN160 4.8 40.6 1.0 O A:GLN160 4.8 40.4 1.0 O A:SER27 4.8 58.3 1.0 CD A:GLN160 5.0 41.3 1.0

S.Chandramouli, J.S.Joseph, S.Daudenarde, J.Gatchalian, C.Cornillez-Ty, P.Kuhn. Serotype-Specific Structural Differences in the Protease-Cofactor Complexes of the Dengue Virus Family. J.Virol. V. 84 3059 2010.
ISSN: ISSN 0022-538X
PubMed: 20042502
DOI: 10.1128/JVI.02044-09