2YOL

West Nile Virus NS2B-NS3 protease in complex with 3,4- dichlorophenylacetyl-Lys-Lys-GCMA

Summary for 2YOL

• Entry DOI: 10.2210/pdb2yol/pdb
• Descriptor: SERINE PROTEASE SUBUNIT NS2B, SERINE PROTEASE NS3, CHLORIDE ION, (S)-6-amino-N-((S)-6-amino-1-(((1r,4S)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide, ... (5 entities in total)
• Functional Keywords: serine protease, hydrolase, inhibitor
• Biological source: WEST NILE VIRUS
• Cellular location: Capsid protein C: Virion (Potential). Small envelope protein M: Virion membrane; Multi-pass membrane protein (By similarity). Envelope protein E: Virion membrane; Multi- pass membrane protein (By similarity). Non-structural protein 1: Secreted. Non-structural protein 2A: Host endoplasmic reticulum membrane; Multi-pass membrane protein (Potential). Serine protease subunit NS2B: Host endoplasmic reticulum membrane; Multi-pass membrane protein (Potential). Serine protease NS3: Host endoplasmic reticulum membrane; Peripheral membrane protein; Cytoplasmic side (By similarity). Non-structural protein 4A: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). Non-structural protein 4B: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). RNA-directed RNA polymerase NS5: Host endoplasmic reticulum membrane; Peripheral membrane protein; Cytoplasmic side (By similarity): P06935
• Total number of polymer chains: 1
• Total formula weight: 25310.15

Authors

Hammamy, M.Z.,Haase, C.,Hammami, M.,Hilgenfeld, R.,Steinmetzer, T. (deposition date: 2012-10-25, release date: 2013-03-27, Last modification date: 2023-12-20)

• Primary citation: Hammamy, M.Z.,Haase, C.,Hammami, M.,Hilgenfeld, R.,Steinmetzer, T.; Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus Ns2B-Ns3 Protease.; Chemmedchem, 8:231-, 2013; PubMed: 23307694; DOI: 10.1002/CMDC.201200497

Experimental method

X-RAY DIFFRACTION (3.2 Å)