Brand  (β version)

PDB ID: 4FE6

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Ligands
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0TQ (3r,3as,6ar)-hexahydrofuro[2,3-B]furan-3-yl {(2s,3r)-3-hydroxy-4-[({(3z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1h-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate PoSSuM
Non-standard Residues
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Structure summary

Code : 4FE6   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/INHIBITOR
Title : Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor
Release Data : 2012-07-18
Compound :
mol_id molecule chains synonym
1 HIV protease A PR, Retropepsin
ec: 3.4.23.16
Source :
mol_id organism_scientific organism_common expression_system
1 Human immunodeficiency virus type 1  (taxid:11686) HIV-1 Escherichia coli  (taxid:469008)
strain: BRU/LAI
gene: gag-pol
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
Authors : Silva, A.M., Eissenstat, M., Guerassina, T., Gulnik, S., Afonina, E., Yu, B., Erickson, J., Ludke, D., Yokoe, H.
Keywords : HYDROLASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.0000 Å )
Citation :

Enamino-oxindole HIV protease inhibitors.

Eissenstat, M.,Guerassina, T.,Gulnik, S.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 5078 - 5083

PubMed: 22749283
DOI: 10.1016/j.bmcl.2012.05.120

Reaction

Chain : A
UniProt : P03367 (POL_HV1BR)
Reaction: EC: Evidence:
Physiological Direction:
Specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro. 3.4.23.16 PROSITE-ProRule:PRU00275
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Endohydrolysis of RNA in RNA/DNA hybrids. Three different cleavage modes: 1. sequence-specific internal cleavage of RNA. Human immunodeficiency virus type 1 and Moloney murine leukemia virus enzymes prefer to cleave the RNA strand one nucleotide away from the RNA-DNA junction. 2. RNA 5'-end directed cleavage 13-19 nucleotides from the RNA end. 3. DNA 3'-end directed cleavage 15-20 nucleotides away from the primer terminus. 3.1.26.13 -
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3'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid. 3.1.13.2 -
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a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1) 2.7.7.49 PROSITE- ProRule:PRU00405
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a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1) 2.7.7.7 PROSITE- ProRule:PRU00405
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