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Ligands
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9MW Methyl [(2s)-1-(2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CL Chloride ion
Non-standard Residues
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Glycosylation
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Code : 4CP7   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
Release Data : 2014-12-10
Compound :
mol_id molecule chains synonym
1 PROTEASE A,B PR160GAG-POL, HIV-1 PROTEASE
ec: 3.4.23.16
mutation: YES
Source :
mol_id organism_scientific expression_system
1 HUMAN IMMUNODEFICIENCY VIRUS  (taxid:12721) ESCHERICHIA COLI  (taxid:511693)
strain: 99HHP1 (D10)
variant: Z2/CDC-Z34 ISOLATE
atcc: 11676
expression_system_strain: BL21
expression_system_variant: AI
expression_system_vector_type: PLASMID
expression_system_plasmid: PEXP5
Authors : deRosa, M., Unge, J., Motwani, H.V., Rosenquist, A., Vrang, L., Wallberg, H., Larhed, M.
Keywords : HYDROLASE, INHIBITOR, RATIONAL DRUG DESIGN, ENZYME
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.

De Rosa, M.,Unge, J.,Motwani, H.V.  et al.
(2014)  J.Med.Chem.  57 : 6444

PubMed: 25054811
DOI: 10.1021/JM500434Q

Chain : A, B
UniProt : P03366 (POL_HV1B1)
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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3'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid. 3.1.13.2 ECO:0000250
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[Reverse transcriptase/ribonuclease H]
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 PubMed:2476069
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[Reverse transcriptase/ribonuclease H]
a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1)
2.7.7.49 PROSITE- ProRule:PRU00405, PubMed:2476069
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[Reverse transcriptase/ribonuclease H]
a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1)
2.7.7.7 PROSITE- ProRule:PRU00405, PubMed:2476069
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