Zinc in PDB 3eyd: Structure of Hcv NS3-4A Protease with An Inhibitor Derived From A Boronic Acid

The structure of Structure of Hcv NS3-4A Protease with An Inhibitor Derived From A Boronic Acid, PDB code: 3eyd was solved by S.Venkatraman, W.Wu, A.J.Prongay, V.Girijavallabhan, F.G.Njoroge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	224.483, 224.483, 75.786, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 25.6

The binding sites of Zinc atom in the Structure of Hcv NS3-4A Protease with An Inhibitor Derived From A Boronic Acid (pdb code 3eyd). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Hcv NS3-4A Protease with An Inhibitor Derived From A Boronic Acid, PDB code: 3eyd:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Hcv NS3-4A Protease with An Inhibitor Derived From A Boronic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Hcv NS3-4A Protease with An Inhibitor Derived From A Boronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn901 b:35.2 occ:1.00 O A:HOH197 1.6 12.6 1.0 SG A:CYS97 2.1 22.6 1.0 SG A:CYS99 2.2 37.4 1.0 SG A:CYS145 2.4 33.9 1.0 CB A:CYS145 3.4 29.8 1.0 CB A:CYS99 3.5 38.7 1.0 CB A:CYS97 3.5 26.8 1.0 N A:CYS99 3.8 45.4 1.0 CA A:CYS97 3.9 33.5 1.0 N A:THR98 3.9 40.8 1.0 CA A:CYS99 4.1 39.5 1.0 CB A:HIS149 4.3 25.6 1.0 CB A:ALA147 4.4 19.5 1.0 C A:CYS97 4.4 38.1 1.0 CD2 A:HIS149 4.5 30.7 1.0 N A:GLY100 4.6 36.7 1.0 C A:CYS99 4.7 37.0 1.0 CG A:HIS149 4.7 27.2 1.0 C A:THR98 4.7 47.8 1.0 OG1 A:THR98 4.9 51.9 1.0 CA A:CYS145 4.9 27.0 1.0 CA A:THR98 4.9 46.1 1.0 CB A:SER101 5.0 40.4 1.0

Zinc binding site 2 out of 2 in the Structure of Hcv NS3-4A Protease with An Inhibitor Derived From A Boronic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Hcv NS3-4A Protease with An Inhibitor Derived From A Boronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn901 b:33.6 occ:1.00 SG C:CYS99 1.9 38.1 1.0 SG C:CYS145 2.2 26.8 1.0 SG C:CYS97 2.3 25.5 1.0 O C:HOH190 2.3 2.2 1.0 CB C:CYS99 3.2 30.9 1.0 CB C:CYS145 3.4 27.0 1.0 CB C:CYS97 3.6 20.1 1.0 N C:CYS99 3.6 34.0 1.0 N C:THR98 3.9 24.9 1.0 CA C:CYS97 3.9 22.4 1.0 CA C:CYS99 3.9 35.5 1.0 O A:HOH203 4.3 51.0 1.0 CB C:ALA147 4.3 8.5 1.0 CB C:HIS149 4.3 11.9 1.0 C C:CYS97 4.4 23.5 1.0 ND1 C:HIS149 4.6 14.7 1.0 C C:CYS99 4.6 36.6 1.0 C C:THR98 4.7 33.0 1.0 N C:GLY100 4.7 36.2 1.0 CG C:HIS149 4.8 10.1 1.0 CA C:CYS145 4.8 23.7 1.0 CA C:THR98 4.9 29.1 1.0 N C:ALA147 4.9 22.7 1.0 CG A:PRO115 4.9 26.7 1.0

S.Venkatraman, W.Wu, A.Prongay, V.Girijavallabhan, F.George Njoroge. Potent Inhibitors of Hcv-NS3 Protease Derived From Boronic Acids. Bioorg.Med.Chem.Lett. V. 19 180 2009.
ISSN: ISSN 0960-894X
PubMed: 19022670
DOI: 10.1016/J.BMCL.2008.10.124