Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
9H7 Tert-butyl [(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[E]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
SO4 Sulfate ion
ZN Zinc ion
Code : 5VP9
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3
Release Data : 2017-06-21
Compound :
mol_id molecule chains
1 NS4A cofactor -- NS3 protein chimera A
Source :
mol_id organism_scientific expression_system
1 Hepatitis C virus subtype 1a  (taxid:31646) Escherichia coli BL21(DE3)  (taxid:469008)
expression_system_strain: BL21(DE3) magic
expression_system_vector_type: Plasmid
expression_system_plasmid: pET-28a
Authors : Matthew, A.N., Schiffer, C.A.
Keywords : NS3/4a Protease, Hepatitis C virus, Drug Resistance, protease inhibitor, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.859 Å )
Citation :

Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.

Matthew, A.N.,Zephyr, J.,Hill, C.J.  et al.
(2017)  J. Med. Chem.  60 : 5699 - 5716

PubMed: 28594175
DOI: 10.1021/acs.jmedchem.7b00426

Chain : A
UniProt : A8DG50 (No found in current UniProtKB/SwissProt)
Reaction : -