BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 6430

Title: 1H and 31P chemical shift assignments for HIV-1 integrase inhibitor 93del

Authors: Phan, Anh Tuan; Kuryavyi, Vitaly; Ma, Jin-Biao; Faure, Aurelie; Andreola, Marie-Line; Patel, Dinshaw

Citation: Phan, Anh Tuan; Kuryavyi, Vitaly; Ma, Jin-Biao; Faure, Aurelie; Andreola, Marie-Line; Patel, Dinshaw. "An interlocked dimeric parallel-stranded DNA quadruplex: a potent inhibitor of HIV-1 integrase"  Proc. Natl. Acad. Sci. U.S.A. 102, 634-639 (2005).

Assembly members:
HIV-1 integrase inhibitor, polymer, 16 residues, Formula weight is not available

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: unclassified   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
HIV-1 integrase inhibitor: GGGGTGGGAGGAGGGT

Data sets:
Data typeCount
1H chemical shifts148
31P chemical shifts15

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
193del subunit 11
293del subunit 21

Entities:

Entity 1, 93del subunit 1 16 residues - Formula weight is not available

1   DGDGDGDGDTDGDGDGDADG
2   DGDADGDGDGDT

Samples:

sample_1: HIV-1 integrase inhibitor 2.0 mM; K+ 0.09 M

sample_2: HIV-1 integrase inhibitor 9.0 mM; K+ 0.09 M

condition_1: ionic strength: 90 mM; pH: 7.0; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1H-15N JRHMQCnot availablenot availablecondition_1
1H-15N HMBCnot availablenot availablecondition_1
1H-13C JRHMBCnot availablenot availablecondition_1
1H-13C HMBCnot availablenot availablecondition_1
1H-13C HSQCnot availablenot availablecondition_1
1H-13C sHMBCnot availablenot availablecondition_1
1H-31P TOCSYnot availablenot availablecondition_1
1H-31P HSQCnot availablenot availablecondition_1
1H-1H COSYnot availablenot availablecondition_1
1H-1H TOCSYnot availablenot availablecondition_1
1H-1H JRNOESYnot availablenot availablecondition_1
1H-1H NOESYnot availablenot availablecondition_1

Software:

FELIX -

NMR spectrometers:

  • Varian Unity INOVA 500 MHz
  • Varian Unity INOVA 600 MHz
  • Bruker AVANCE 600 MHz

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