Zinc in PDB 2oin: Crystal Structure of Hcv NS3-4A R155K Muntant

The structure of Crystal Structure of Hcv NS3-4A R155K Muntant, PDB code: 2oin was solved by Y.Wei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.50
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	225.310, 225.310, 75.660, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 24.9

The binding sites of Zinc atom in the Crystal Structure of Hcv NS3-4A R155K Muntant (pdb code 2oin). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Hcv NS3-4A R155K Muntant, PDB code: 2oin:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Hcv NS3-4A R155K Muntant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Hcv NS3-4A R155K Muntant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn901 b:41.6 occ:1.00 O A:HOH903 2.4 10.4 1.0 SG A:CYS171 2.4 37.9 1.0 SG A:CYS123 2.4 42.6 1.0 SG A:CYS125 2.6 52.3 1.0 CB A:CYS171 3.2 34.7 1.0 CB A:CYS125 3.4 48.9 1.0 CB A:CYS123 3.4 45.1 1.0 N A:CYS125 3.6 50.1 1.0 N A:THR124 3.8 47.8 1.0 CA A:CYS123 3.8 46.1 1.0 CA A:CYS125 4.0 48.5 1.0 C A:CYS123 4.3 47.6 1.0 CB A:HIS175 4.3 35.1 1.0 CB A:ALA173 4.5 35.1 1.0 C A:CYS125 4.6 47.9 1.0 ND1 A:HIS175 4.6 35.8 1.0 C A:THR124 4.6 50.3 1.0 CA A:CYS171 4.6 35.1 1.0 N A:GLY126 4.7 47.8 1.0 CG A:HIS175 4.8 35.9 1.0 CA A:THR124 4.8 48.8 1.0 N A:ALA173 4.9 35.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Hcv NS3-4A R155K Muntant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Hcv NS3-4A R155K Muntant within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:42.3 occ:1.00 SG B:CYS1123 2.3 31.2 1.0 SG B:CYS1125 2.5 48.6 1.0 SG B:CYS1171 2.5 38.0 1.0 CB B:CYS1125 3.2 46.9 1.0 N B:CYS1125 3.4 47.2 1.0 CB B:CYS1123 3.5 38.1 1.0 N B:THR1124 3.5 43.6 1.0 CA B:CYS1123 3.7 40.0 1.0 CB B:CYS1171 3.7 38.5 1.0 CA B:CYS1125 3.9 47.0 1.0 C B:CYS1123 4.1 41.9 1.0 O B:HOH149 4.1 51.7 1.0 C B:THR1124 4.3 47.0 1.0 CB B:ALA1173 4.3 34.3 1.0 CB B:HIS1175 4.3 37.8 1.0 CA B:THR1124 4.5 45.5 1.0 CD2 B:HIS1175 4.6 41.6 1.0 CG B:HIS1175 4.6 39.8 1.0 C B:CYS1125 4.9 47.3 1.0 N B:GLY1126 4.9 46.4 1.0 N B:CYS1123 5.0 38.3 1.0

Y.Zhou, U.Muh, B.L.Hanzelka, D.J.Bartels, Y.Wei, B.G.Rao, D.L.Brennan, A.M.Tigges, L.Swenson, A.D.Kwong, C.Lin. Phenotypic and Structural Analyses of Hepatitis C Virus NS3 Protease ARG155 Variants: Sensitivity to Telaprevir (Vx-950) and Interferon Alpha. J.Biol.Chem. V. 282 22619 2007.
ISSN: ISSN 0021-9258
PubMed: 17556358
DOI: 10.1074/JBC.M610207200