Brand  (β version)

PDB ID: 1JLC

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Ligands
Code Name Style Show Link
FTC N-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-N'-[5-chloro-pyridyl]-thiourea PoSSuM
Non-standard Residues
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CSD 3-sulfinoalanine
Glycosylation
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Structure summary

Code : 1JLC   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2
Release Data : 2001-10-03
Compound :
mol_id molecule chains
1 HIV-1 RT A-chain A
ec: 2.7.7.49
fragment: p66
mol_id molecule chains
2 HIV-1 RT B-chain B
ec: 2.7.7.49
fragment: p51
Source :
mol_id organism_scientific expression_system
1 HIV-1 M:B_HXB2R  (taxid:11706) Escherichia coli  (taxid:562)
strain: HXB2 ISOLATE
gene: POl
mol_id organism_scientific expression_system
2 HIV-1 M:B_HXB2R  (taxid:11706) Escherichia coli  (taxid:562)
strain: HXB2 ISOLATE
gene: POL
Authors : Ren, J., Nichols, C., Bird, L., Chamberlain, P., Weaver, K., Short, S., Stuart, D.I., Stammers, D.K.
Keywords : HIV-1 REVERSE TRANSCRIPTASE, AIDS, NON-NUCLEOSIDE INHIBITOR, PETT-2, DRUG RESISTANCE MUTATIONS, DRUG DESIGN, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 3.00 Å )
Citation :

Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.

Ren, J.,Nichols, C.,Bird, L.  et al.
(2001)  J.Mol.Biol.  312 : 795 - 805

PubMed: 11575933
DOI: 10.1006/jmbi.2001.4988

2-Amino-6-Arylsulfonylbenzonitriles as Non-Nucleoside Reverse Transcriptase Inhibitors of HIV-1

Chan, J.H.,Hong, J.S.,Hunter III, R.N.  et al.
(2001)  J.Med.Chem.  44 : 1866 - 1882

DOI: 10.1021/jm0004906

Structural Basis for the Resilience of Efavirenz (Dmp-266) to Drug Resistant Mutations in HIV-1 Reverse Transcriptase

Ren, J.,Milton, J.,Weaver, K.L.  et al.
(2000)  Structure  8 : 1089 - 1094

DOI: 10.1016/S0969-2126(00)00513-X

Binding of the Second Generattion Non-Nucleoside Inhibitor S-1153 to HIV-1 Reverse Transcriptase Involves Extensive Main Chain Hydrogen Bonding

Ren, J.,Nichols, C.,Bird, L.E.  et al.
(2000)  J.Biol.Chem.  275 : 14316 - 14320

DOI: 10.1074/jbc.275.19.14316

Phenethylthiazolylthiourea (Pett) Non-Nucleoside Inhibitors of HIV-1 and HIV-2 Reverse Transcriptases: Structural and Biochemical Analyses

Ren, J.,Diprose, J.,Warren, J.  et al.
(2000)  J.Biol.Chem.  275 : 5633 - 5639

DOI: 10.1074/jbc.275.8.5633

Crystallographic Analysis of the Binding Modes of Non-Nucleoside Thiazoloisoindolinone Inhibitors to HIV-1 Reverse Transcriptase and Comparison with Modeling Studies

Ren, J.,Esnouf, R.M.,Hopkins, A.L.  et al.
(1999)  J.Med.Chem.  42 : 3845 - 3851

DOI: 10.1021/jm990275t

Design of Mkc-442 (Emivirine) Analogues with Improved Activity Against Drug-Resistant HIV Mutants

Hopkins, A.L.,Ren, J.,Tanaka, H.  et al.
(1999)  J.Med.Chem.  42 : 4500 - 4505

DOI: 10.1021/jm990192c

Crystal Structures of Reverse Transcriptase in Complex with Carboxanilide Derivatives

Ren, J.,Esnouf, R.M.,Hopkins, A.L.  et al.
(1998)  Biochemistry  37 : 14394 - 14403

DOI: 10.1021/bi981309m

3'-Azido-3'-Deoxythymidine Drug Resistance Mutations in HIV-1 Reverse Transcriptase Can Induce Long Range Conformational Changes

Ren, J.,Esnouf, R.M.,Hopkins, A.L.  et al.
(1998)  Proc.Natl.Acad.Sci.USA  95 : 9518 - 9523

DOI: 10.1073/pnas.95.16.9518

Continuous and Discontinuous Changes in the Unit Cell of HIV-1 Reverse Transcriptase Crystals on Dehydration

Esnouf, R.M.,Ren, J.,Garman, E.  et al.
(1998)  Acta Crystallogr.,Sect.D  54 : 938 - 953

DOI: 10.1107/S0907444998004284

Unique Features in the Structure of the Complex between HIV-1 Reverse Transcriptase and the Bis(Heteroaryl)Piperazine (Bhap) U-90152 Explain Resistance Mutations for This Non-Nucleoside Inhibitor

Esnouf, R.M.,Ren, J.,Hopkins, A.L.  et al.
(1997)  Proc.Natl.Acad.Sci.USA  94 : 3984 - 3989

DOI: 10.1073/pnas.94.8.3984

Complexes of HIV-1 Reverse Transcriptase with Inhibitors of the HEPT Series Reveal Conformational Changes Relevant to the Design of Potent Non-Nucleoside Inhibitors

Hopkins, A.L.,Ren, J.,Esnouf, R.M.  et al.
(1996)  J.Med.Chem.  39 : 1589 - 1600

DOI: 10.1021/jm960056x

The Structure of HIV-1 Reverse Transcriptase Complexed with 9-Chloro-TIBO: Lessons for Inhibitor Design

Ren, J.,Esnouf, R.M.,Hopkins, A.L.  et al.
(1995)  Structure  3 : 915 - 926

High Resolution Structures of HIV-1 RT from Four RT-Inhibitor Complexes

Ren, J.,Esnouf, R.M.,Garman, E.  et al.
(1995)  Nat.Struct.Biol.  2 : 293 - 302

Mechanism of Inhibition of HIV-1 Reverse Transcriptase by Non-Nucleoside Inhibitors

Esnouf, R.M.,Ren, J.,Ross, C.K.  et al.
(1995)  Nat.Struct.Biol.  2 : 303 - 308

Crystals of HIV-1 Reverse Transcriptase Diffracting to 2.2 Angstrom Resolution

Stammers, D.K.,Somers, D.O.,Ross, C.K.  et al.
(1994)  J.Mol.Biol.  242 : 586 - 588

DOI: 10.1006/jmbi.1994.1604

Reaction

Chain : B
UniProt : P04585 (POL_HV1H2)
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, PubMed:32053707, PubMed:33542150
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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 UniProtKB:P03366
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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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