Brand  (β version)

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

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Ligands
Code Name Link
PI Hydrogenphosphate ion
EDO 1,2-ethanediol
NH4 Ammonium ion
XNV Ethyl (4r)-4-({(2s)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2h)-yl]pent-4-ynoyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
Code : 3Q3Y
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Complex structure of HEVB EV93 main protease 3C with Compound 1 (AG7404)
Release Data : 2011-09-07
Compound :
mol_id molecule chains
1 HEVB EV93 3C protease A,B
ec: 3.4.22.28
mutation: M139V
Source :
mol_id organism_scientific expression_system
1 Human enterovirus B  (taxid:138949) Escherichia coli  (taxid:562)
gene: 3C
expression_system_strain: BL21
expression_system_vector_type: plasmid
expression_system_plasmid: pDEST14
Authors : Costenaro, L., Kaczmarska, Z., Arnan, C., Sola, M., Coutard, B., Norder, H., Canard, B., Coll, M.
Keywords : cysteine trypsin-like protease, 3C cysteine protease (picornain 3C), antiviral Compound 1 (AG7404), HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.3200 Å )
Citation :

Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93.

Costenaro, L.,Kaczmarska, Z.,Arnan, C.  et al.
(2011)  J.Virol.  85 : 10764 - 10773

PubMed: 21835784
DOI: 10.1128/JVI.05062-11

Chain : A, B
UniProt : Q5DSM6 (No found in current UniProtKB/SwissProt)
Reaction : -