Zinc in PDB 5voj: Crystal Structure of Hcv NS3/4A Protease in Complex with JZ01-15, An Analogue of 5172-MCP1P3

The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with JZ01-15, An Analogue of 5172-MCP1P3, PDB code: 5voj was solved by A.N.Matthew, C.A.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.95 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.365, 58.600, 59.904, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.3

The binding sites of Zinc atom in the Crystal Structure of Hcv NS3/4A Protease in Complex with JZ01-15, An Analogue of 5172-MCP1P3 (pdb code 5voj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Hcv NS3/4A Protease in Complex with JZ01-15, An Analogue of 5172-MCP1P3, PDB code: 5voj:

Zinc binding site 1 out of 1 in the Crystal Structure of Hcv NS3/4A Protease in Complex with JZ01-15, An Analogue of 5172-MCP1P3


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 JZ01-15, An Analogue of 5172-MCP1P3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1203 b:13.5 occ:1.00 ND1 A:HIS1149 2.3 17.1 1.0 SG A:CYS1097 2.3 9.5 1.0 SG A:CYS1145 2.3 8.6 1.0 SG A:CYS1099 2.3 12.4 1.0 HB2 A:HIS1149 2.7 13.4 1.0 HB2 A:CYS1099 2.9 15.3 1.0 CG A:HIS1149 3.2 15.7 1.0 CB A:CYS1099 3.2 12.7 1.0 H A:CYS1099 3.2 12.9 1.0 HB3 A:CYS1145 3.3 14.1 1.0 CE1 A:HIS1149 3.3 16.0 1.0 CB A:CYS1145 3.3 11.7 1.0 CB A:HIS1149 3.4 11.1 1.0 HA A:CYS1097 3.4 12.7 1.0 HB2 A:CYS1097 3.4 14.5 1.0 CB A:CYS1097 3.4 12.1 1.0 HB2 A:CYS1145 3.4 14.1 1.0 HE1 A:HIS1149 3.5 19.2 1.0 HB3 A:ALA1147 3.5 12.8 1.0 H A:THR1098 3.8 13.0 1.0 CA A:CYS1097 3.9 10.5 1.0 HB3 A:HIS1149 3.9 13.4 1.0 N A:CYS1099 3.9 10.8 1.0 H A:HIS1149 3.9 13.5 1.0 HB3 A:CYS1099 3.9 15.3 1.0 CA A:CYS1099 4.2 11.2 1.0 HB3 A:CYS1097 4.2 14.5 1.0 N A:THR1098 4.3 10.8 1.0 H A:ALA1147 4.3 10.9 1.0 CD2 A:HIS1149 4.3 18.3 1.0 NE2 A:HIS1149 4.3 17.0 1.0 CB A:ALA1147 4.5 10.7 1.0 O A:HOH1328 4.5 19.3 1.0 C A:CYS1097 4.5 12.2 1.0 CA A:HIS1149 4.5 9.9 1.0 N A:HIS1149 4.6 11.2 1.0 HA A:CYS1099 4.7 13.5 1.0 CA A:CYS1145 4.7 8.9 1.0 H A:CYS1145 4.7 11.5 1.0 HD2 A:PRO1146 4.7 10.7 1.0 HB2 A:ALA1147 4.7 12.8 1.0 HG22 A:VAL1151 4.9 13.5 1.0 HB1 A:ALA1147 5.0 12.8 1.0 C A:THR1098 5.0 13.5 1.0

A.N.Matthew, J.Zephyr, C.J.Hill, M.Jahangir, A.Newton, C.J.Petropoulos, W.Huang, N.Kurt-Yilmaz, C.A.Schiffer, A.Ali. Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants. J. Med. Chem. V. 60 5699 2017.
ISSN: ISSN 1520-4804
PubMed: 28594175
DOI: 10.1021/ACS.JMEDCHEM.7B00426