Zinc in PDB 2qv1: Crystal Structure of Hcv NS3-4A V36M Mutant

The structure of Crystal Structure of Hcv NS3-4A V36M Mutant, PDB code: 2qv1 was solved by Y.Wei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.76 / 2.40
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	228.760, 228.760, 75.530, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Zinc atom in the Crystal Structure of Hcv NS3-4A V36M Mutant (pdb code 2qv1). 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 V36M Mutant, PDB code: 2qv1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Hcv NS3-4A V36M Mutant


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 V36M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn901 b:54.3 occ:1.00 CB A:CYS125 2.3 62.4 1.0 SG A:CYS125 2.3 58.9 1.0 SG A:CYS171 2.3 46.8 1.0 SG A:CYS123 2.4 48.3 1.0 CB A:CYS171 2.8 42.8 1.0 CB A:CYS123 3.4 48.8 1.0 CA A:CYS125 3.4 61.6 1.0 N A:CYS125 3.6 60.0 1.0 CA A:CYS123 3.9 50.2 1.0 C A:CYS125 4.1 62.8 1.0 N A:GLY126 4.2 62.6 1.0 CA A:CYS171 4.3 42.8 1.0 CB A:HIS175 4.3 42.4 1.0 CB A:ALA173 4.5 38.9 1.0 N A:THR124 4.5 53.5 1.0 C A:CYS123 4.5 51.5 1.0 CD A:PRO172 4.7 42.8 1.0 ND1 A:HIS175 4.7 44.7 1.0 N A:ALA173 4.7 40.5 1.0 CG A:HIS175 4.8 43.3 1.0 C A:CYS171 4.8 42.6 1.0 C A:THR124 4.9 58.5 1.0 N A:PRO172 4.9 42.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Hcv NS3-4A V36M Mutant


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 V36M Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:52.5 occ:1.00 SG B:CYS1125 2.6 99.6 1.0 CB B:CYS1123 2.8 77.5 1.0 SG B:CYS1123 2.9 83.8 1.0 N B:THR1124 2.9 82.3 1.0 SG B:CYS1171 2.9 49.4 1.0 CA B:CYS1123 3.1 76.1 1.0 O B:HOH14 3.2 72.8 1.0 N B:CYS1125 3.2 89.8 1.0 C B:CYS1123 3.3 78.6 1.0 CB B:CYS1125 3.4 94.2 1.0 O B:HOH15 3.6 47.0 1.0 CB B:HIS1175 3.9 50.9 1.0 CA B:CYS1125 4.0 91.4 1.0 CA B:THR1124 4.1 86.2 1.0 CG B:HIS1175 4.1 55.5 1.0 C B:THR1124 4.1 88.0 1.0 ND1 B:HIS1175 4.2 58.6 1.0 CB B:CYS1171 4.3 45.0 1.0 O B:CYS1123 4.5 78.3 1.0 N B:CYS1123 4.5 69.3 1.0 OG1 B:THR1124 4.6 87.4 1.0 CB B:ALA1173 4.7 49.2 1.0 CD2 B:HIS1175 4.9 56.7 1.0 CB B:THR1124 5.0 87.0 1.0 CE1 B:HIS1175 5.0 60.3 1.0 N B:GLY1126 5.0 89.4 1.0 C B:CYS1125 5.0 90.6 1.0

Y.Wei, L.Chao. Phenotypic and Structural Analyses of Hcv NS3 Protease VAL36 Variants To Be Published.