Zinc in PDB 3m5o: Crystal Structure of Hcv NS3/4A Protease in Complex with N-Terminal Product 5A5B

All present enzymatic activity of Crystal Structure of Hcv NS3/4A Protease in Complex with N-Terminal Product 5A5B:
3.4.21.98;

The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with N-Terminal Product 5A5B, PDB code: 3m5o was solved by C.A.Schiffer, K.P.Romano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.272, 58.885, 67.058, 90.00, 99.22, 90.00
R / Rfree (%)	18 / 22.6

The binding sites of Zinc atom in the Crystal Structure of Hcv NS3/4A Protease in Complex with N-Terminal Product 5A5B (pdb code 3m5o). 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 Protease in Complex with N-Terminal Product 5A5B, PDB code: 3m5o:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Hcv NS3/4A Protease in Complex with N-Terminal Product 5A5B


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 Protease in Complex with N-Terminal Product 5A5B within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1183 b:17.2 occ:1.00 SG A:CYS1145 2.2 14.3 1.0 O A:HOH156 2.3 7.5 1.0 SG A:CYS1097 2.3 17.3 1.0 SG A:CYS1099 2.4 19.7 1.0 CB A:CYS1145 3.1 14.8 1.0 CB A:CYS1097 3.4 18.6 1.0 CB A:CYS1099 3.4 20.2 1.0 N A:CYS1099 3.6 20.6 1.0 CA A:CYS1097 3.9 19.1 1.0 N A:THR1098 4.0 21.4 1.0 CA A:CYS1099 4.0 20.5 1.0 CB A:HIS1149 4.2 19.6 1.0 ND1 A:HIS1149 4.3 29.2 1.0 C A:CYS1097 4.4 20.8 1.0 O A:HOH189 4.5 34.1 1.0 CA A:CYS1145 4.6 13.9 1.0 CB A:ALA1147 4.6 19.5 1.0 CG A:HIS1149 4.7 23.6 1.0 C A:THR1098 4.7 23.0 1.0 C A:CYS1099 4.8 19.8 1.0 N A:GLY1100 4.8 18.8 1.0 O A:HOH118 4.9 19.8 1.0 N A:ALA1147 5.0 16.7 1.0 CD A:PRO1146 5.0 14.8 1.0 CA A:THR1098 5.0 23.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Hcv NS3/4A Protease in Complex with N-Terminal Product 5A5B


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 Protease in Complex with N-Terminal Product 5A5B within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2 b:23.6 occ:1.00 ND1 B:HIS1149 2.1 24.7 1.0 SG B:CYS1145 2.2 19.9 1.0 SG B:CYS1099 2.2 23.0 1.0 SG B:CYS1097 2.4 21.4 1.0 CG B:HIS1149 3.1 21.9 1.0 CE1 B:HIS1149 3.1 23.0 1.0 CB B:CYS1099 3.2 21.4 1.0 CB B:CYS1145 3.3 20.9 1.0 CB B:HIS1149 3.4 20.1 1.0 CB B:CYS1097 3.5 19.0 1.0 O B:HOH143 3.8 18.5 1.0 CA B:CYS1097 4.0 19.5 1.0 N B:CYS1099 4.0 21.0 1.0 NE2 B:HIS1149 4.2 24.5 1.0 CD2 B:HIS1149 4.2 24.9 1.0 CA B:CYS1099 4.2 21.6 1.0 N B:THR1098 4.4 20.3 1.0 OG B:SER1101 4.5 23.7 0.5 CA B:HIS1149 4.6 20.2 1.0 N B:HIS1149 4.6 19.9 1.0 C B:CYS1097 4.6 20.1 1.0 CB B:ALA1147 4.7 22.6 1.0 CA B:CYS1145 4.7 19.3 1.0 O B:HOH434 4.8 25.2 1.0

K.P.Romano, A.Ali, W.E.Royer, C.A.Schiffer. Drug Resistance Against Hcv NS3/4A Inhibitors Is Defined By the Balance of Substrate Recognition Versus Inhibitor Binding. Proc.Natl.Acad.Sci.Usa V. 107 20986 2010.
ISSN: ISSN 0027-8424
PubMed: 21084633
DOI: 10.1073/PNAS.1006370107