Brand  (β version)

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
BM1 (R)-(+)9b-(3-methyl)phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one
Modified Residues
Code Name Link
CSD 3-sulfinoalanine
Code : 1C0T
Header : TRANSFERASE
Title : CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326
Release Data : 2000-07-19
Compound :
mol_id molecule chains
1 HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN) A
ec: 2.7.7.49
fragment: P66
mol_id molecule chains
2 HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) B
ec: 2.7.7.49
fragment: P51
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli  (taxid:562)
strain: HXB2
expression_system_plasmid: PKK233-2
mol_id organism_scientific expression_system
2 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli  (taxid:562)
strain: HXB2
expression_system_plasmid: PKK233-2
Authors : Ren, J., Esnouf, R.M., Hopkins, A.L., Stuart, D.I., Stammers, D.K.
Keywords : HIV-1 REVERSE TRANSCRIPTASE, AIDS, NON-NUCLEOSIDE INHIBITOR, DRUG DESIGN, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.7 Å )
Citation :

Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside 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

PubMed: 10508433
DOI: 10.1021/jm990275t

Crystal structures of HIV-1 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

Chain : B
UniProt : P04585 (POL_HV1H2)
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).