Brand  (β version)

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centroid:
interaction residue:

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Ligands
Code Name Link
076 (S)-N-((1r,2s)-1-((2r,3r)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
ACT Acetate ion
DMS Dimethyl sulfoxide
Code : 3TOF
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : HIV-1 Protease - Epoxydic Inhibitor Complex (pH 6 - Orthorombic Crystal form P212121)
Release Data : 2012-08-15
Compound :
mol_id molecule chains synonym
1 Gag-Pol polyprotein A,B Pr160Gag-Pol, Matrix protein p17, MA, Capsid protein p24, CA, Spacer peptide p2, Nucleocapsid protein p7, NC, Transframe peptide, TF, p6-pol, p6*, Protease, PR, Retropepsin, Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT, p51 RT, p15, Integrase, IN
ec: 3.4.23.16, 2.7.7.49, 2.7.7.7, 3.1.26.13, 3.1.13.2
fragment: UNP Residues 501-599
mutation: Q507K L533I L563I C567A C595A
Source :
mol_id organism_scientific organism_common expression_system
1 Human immunodeficiency virus type 1 (BRU ISOLATE)  (taxid:11686) HIV-1 Escherichia coli  (taxid:469008)
gene: gag-pol
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET11A
Authors : Geremia, S., Olajuyigbe, F.M., Ajele, J.O., Demitri, N., Randaccio, L., Wuerges, J., Benedetti, L., Campaner, P., Berti, F.
Keywords : HIV PR, epoxide, in-crystal reaction, hydrolase, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.45 Å )
Citation :

Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.

Olajuyigbe, F.M.,Demitri, N.,De Zorzi, R.  et al.
(2016)  Molecules  21

PubMed: 27809253
DOI: 10.3390/molecules21111458

Chain : A, B
UniProt : P03367 (POL_HV1BR)
Reaction : Specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro.
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'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid.
Deoxynucleoside triphosphate + DNA(n) = diphosphate + DNA(n+1).