Brand  (β version)

PDB ID: 1T3R

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Ligands
Code Name Style Show Link
017 (3r,3as,6ar)-hexahydrofuro[2,3-B]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 1T3R   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : HIV protease wild-type in complex with TMC114 inhibitor
Release Data : 2005-05-03
Compound :
mol_id molecule chains synonym
1 protease RETROPEPSIN A,B HIV-1 PROTEASE
ec: 3.4.23.16
mutation: Q7K,L63P
other_details: complexed with TMC114
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli  (taxid:562)
gene: gag-pol
expression_system_vector_type: plasmid
expression_system_plasmid: p566
Authors : King, N.M., Prabu-Jeyabalan, M., Nalivaika, E.A., Wigernick, P.B., de Bethune, M.P., Schiffer, C.A.
Keywords : HIV-1 PROTEASE; DRUG RESISTANCE; THERMODYNAMICS; SUBSTRATE ENVELOPE, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.20 Å )
Citation :

Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor

Surleraux, D.L.,Tahri, A.,Verschueren, W.G.  et al.
(2005)  J.Med.Chem.  48 : 1813 - 1822

PubMed: 15771427
DOI: 10.1021/jm049560p

Reaction

Chain : A, B
UniProt : P03369 (POL_HV1A2)
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 ECO:0000250
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3'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid. 3.1.13.2 ECO:0000250
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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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