Brand  (β version)

PDB ID: 5VEA

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Ligands
Code Name Style Show Link
3TL Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate PoSSuM
9AY 4-methylbenzene-1,2-diamine PoSSuM
DMS Dimethyl sulfoxide PoSSuM
Non-standard Residues
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Structure summary

Code : 5VEA   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : HIV Protease (PR) with TL-3 in active site and 4-methylbenzene-1,2-diamine in exosite
Release Data : 2018-04-25
Compound :
mol_id molecule chains
1 HIV-1 protease A
ec: 3.4.23.16
mutation: Q7K
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli  (taxid:469008)
strain: R8
gene: pol
expression_system_strain: Bl21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: PET 21A+
Authors : Stout, C.D.
Keywords : protease, allostery, fragment binding, exosite, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.0000 Å )
Citation :

Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease

Forli, S.,Tiefenbrunn, T.,Baksh, M.M.  et al.
to be published 

Reaction

Chain : A
UniProt : Q72863 (Q72863_9HIV1)
Reaction : -