Brand  (β version)

PDB ID: 4IFV

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Ligands
Code Name Style Show Link
DMS Dimethyl sulfoxide PoSSuM
FMQ [1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]methanol PoSSuM
MG Magnesium ion PoSSuM
T27 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile PoSSuM
Non-standard Residues
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Structure summary

Code : 4IFV   PDBj   RCSB PDB   PDBe
Header : transferase/transferase inhibitor
Title : Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening
Release Data : 2013-02-06
Compound :
mol_id molecule chains synonym
1 Exoribonuclease H, p66 RT A Reverse transcriptase/ribonuclease H
ec: 2.7.7.49, 2.7.7.7, 3.1.26.13
fragment: P66 (unp residues 600-1154)
mutation: K771A, K772A, C879S
mol_id molecule chains synonym
2 Gag-Pol polyprotein B Pr160Gag-Pol, Matrix protein p17, MA, Capsid protein p24, CA, Spacer peptide p2, Nucleocapsid protein p7, NC, Transframe peptide, TF, p6-pol, p6*, Protease, PR, Retropepsin, Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT, p51 RT, p15, Integrase, IN
ec: 2.7.7.49, 2.7.7.7, 3.1.26.13
fragment: P51 (unp residues 600-1027)
mutation: C879S
Source :
mol_id organism_scientific organism_common expression_system
1 Human immunodeficiency virus type 1  (taxid:11678) HIV-1 Escherichia coli  (taxid:511693)
strain: BH10
gene: gag-pol, POL
expression_system_strain: BL21(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  (taxid:11678) HIV-1 Escherichia coli  (taxid:511693)
strain: BH10
gene: gag-pol, POL
expression_system_strain: BL21(RIL)
expression_system_vector_type: PLASMID
expression_system_plasmid: PCDF-2
Authors : Bauman, J.D., Patel, D., Fromer, M., Arnold, E.
Keywords : RNA-DIRECTED DNA POLYMERASE, DNA POLYMERASE, ENDONUCLEASE, HYDROLASE, MULTIFUNCTIONAL ENZYME, transferase-transferase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.050 Å )
Citation :

Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.

Bauman, J.D.,Patel, D.,Dharia, C.  et al.
(2013)  J.Med.Chem.  56 : 2738 - 2746

PubMed: 23342998
DOI: 10.1021/jm301271j

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
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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
-