Brand  (β version)

PDB ID: 5AHB

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Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
J5L (3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-B]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5AHB   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II)
Release Data : 2015-05-06
Compound :
mol_id molecule chains synonym
1 PROTEASE A,B PR, RETROPEPSIN
ec: 3.4.23.16
fragment: ASPARTYL PROTEASE, RESIDUES 501-599
mutation: YES
Source :
mol_id organism_scientific expression_system
1 HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (Z2/CDC-Z34 ISOLATE)  (taxid:11683) ESCHERICHIA COLI  (taxid:511693)
strain: 99HHP1 (D10)
atcc: 11676
expression_system_strain: BL21(AI)
expression_system_vector_type: PLASMID
expression_system_plasmid: PEXP5
Authors : Hohlfeld, K., Wegner, J.K., Kesteleyn, B., Linclau, B., Unge, J.
Keywords : HYDROLASE, INHIBITOR, RATIONAL DRUG DESIGN, BIS-THF BIS-DIOL
Exp. method : X-RAY DIFFRACTION ( 1.50 Å )
Citation :

Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).

Hohlfeld, K.,Wegner, J.,Kesteleyn, B.  et al.
(2015)  J.Med.Chem.  58 : 4029

PubMed: 25897791
DOI: 10.1021/ACS.JMEDCHEM.5B00358

Reaction

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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