Brand  (β version)

PDB ID: 3IG1

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Ligands
Code Name Style Show Link
JTH 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one PoSSuM
MN Manganese (II) ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3IG1   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : HIV-1 Reverse Transcriptase with the Inhibitor beta-Thujaplicinol Bound at the RNase H Active Site
Release Data : 2010-01-26
Compound :
mol_id molecule chains synonym
1 HIV-1 Reverse Transcriptase p66 subunit A Pr160Gag-Pol, Matrix protein p17, MA, Capsid protein p24, CA, Spacer peptide p2, Nucleocapsid protein p7, NC, Transframe peptide, TF, p6-pol, p6*, Protease, Retropepsin, PR, Reverse transcriptase/ribonuclease H, p66 RT, p51 RT, p15, Integrase, IN
ec: 2.7.7.49
fragment: p66 subunit, residues 600-1154
mutation: F759S, C879S
mol_id molecule chains
2 HIV-1 Reverse Transcriptase p51 subunit B
ec: 2.7.7.49
fragment: p51 subunit, residues 600-1027
mutation: C879S
Source :
mol_id organism_scientific organism_common expression_system
1 Human immunodeficiency virus type 1 BH10  (taxid:11678) HIV-1 Escherichia coli BL21  (taxid:511693)
gene: gag-pol, POL
expression_system_strain: BL21-CodonPlus-RIL
expression_system_vector_type: plasmid
expression_system_plasmid: pCDF-2
mol_id organism_scientific organism_common expression_system
2 Human immunodeficiency virus type 1 BH10  (taxid:11678) HIV-1 Escherichia coli BL21  (taxid:511693)
gene: gag-pol, POL
expression_system_strain: BL21-CodonPlus-RIL
expression_system_vector_type: plasmid
expression_system_plasmid: pCDF-2
Authors : Himmel, D.M., Maegley, K.A., Pauly, T.A., Arnold, E.
Keywords : RNASE H INHIBITOR, PROTEIN-INHIBITOR COMPLEX, STRUCTURE-BASED DRUG DESIGN, TROPOLONES, TROPYLIUM ION, DIVALENT CATION CHELATOR, AIDS, DNA-DIRECTED DNA POLYMERASE, METAL-BINDING, MULTIFUNCTIONAL ENZYME, NUCLEOTIDYLTRANSFERASE, RNA-BINDING, RNA-DIRECTED DNA POLYMERASE, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.800 Å )
Citation :

Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.

Himmel, D.M.,Maegley, K.A.,Pauly, T.A.  et al.
(2009)  Structure  17 : 1625 - 1635

PubMed: 20004166
DOI: 10.1016/j.str.2009.09.016

Crystal Engineering of HIV-1 Reverse Transcriptase for Structure-based Drug Design

Bauman, J.D.,Das, K.,Ho, W.C.  et al.
(2008)  Nucleic Acids Res.  36 : 5083 - 5092

Reaction

Chain : 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
-
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
-