BMRB Entry 27826

Title:
Backbone chemical shift assignments of RNase H domain bound to YLC2-155
Deposition date:
2019-03-05
Original release date:
2019-11-22
Authors:
Xi, Zhaoyong; Ishima, Rieko
Citation:

Citation: Xi, Zhaoyong; Wang, Zhengqiang; Sarafianos, Stefan; Myshakina, Nataliya; Ishima, Rieko. "Determinants of Active-Site Inhibitor Interaction with HIV-1 RNase H"  ACS Infect. Dis. 5, 1963-1974 (2019).
PubMed: 31577424

Assembly members:

Assembly members:
HIV-1_RNH, polymer, 134 residues, Formula weight is not available
MAGNESIUM ION, non-polymer, 24.305 Da.
7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, non-polymer, 243.215 Da.

Natural source:

Natural source:   Common Name: HIV-1   Taxonomy ID: 11676   Superkingdom: Viruses   Kingdom: not available   Genus/species: Lentivirus HIV-1

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET

Data sets:
Data typeCount
13C chemical shifts129
15N chemical shifts132
1H chemical shifts132

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1HIV-1_RNH1
2Mg2+2
3YLC2-1553

Entities:

Entity 1, HIV-1_RNH 134 residues - Formula weight is not available

1   TYRGLNLEUGLULYSGLUPROILEILEGLY
2   ALAGLUTHRPHETYRVALASPGLYALAALA
3   ASNARGGLUTHRLYSLEUGLYLYSALAGLY
4   TYRVALTHRASPARGGLYARGGLNLYSVAL
5   VALPROLEUTHRASPTHRTHRASNGLNLYS
6   THRGLULEUGLNALAILEHISLEUALALEU
7   GLNASPSERGLYLEUGLUVALASNILEVAL
8   THRASPSERGLNTYRALALEUGLYILEILE
9   GLNALAGLNPROASPLYSSERGLUSERGLU
10   LEUVALSERGLNILEILEGLUGLNLEUILE
11   LYSLYSGLULYSVALTYRLEUALATRPVAL
12   PROALAHISLYSGLYILEGLYGLYASNGLU
13   GLNVALASPLYSLEUVALSERALAGLYILE
14   ARGLYSVALLEU

Entity 2, Mg2+ - 24.305 Da.

1   MG

Entity 3, YLC2-155 - 243.215 Da.

1   Y55

Samples:

sample_1: HIV-1_RNH, [U-100% 13C; U-100% 15N], 0.1 mM; YLC2-155 0.4 mM; MgCl2 20 mM; sodium chloride 10 mM; Bis-Tris 20 mM

sample_conditions_1: ionic strength: 0.07 M; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CcpNmr_Analysis, Vranken, W.F. et al. - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks