BMRB Entry 30171

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30171
MolProbity Validation Chart

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Title:
HIV-1 reverse transcriptase thumb subdomain
Deposition date:
2016-09-06
Original release date:
2017-01-12
Authors:
Gronenborn, A.; Sharaf, N.; Byeon, I-J.
Citation:

Citation: Sharaf, N.; Brereton, A.; Byeon, I-J.; Karplus, P.; Gronenborn, A.. "NMR structure of the HIV-1 reverse transcriptase thumb subdomain"  J. Biomol. NMR 66, 273-280 (2016).
PubMed: 27858311

Assembly members:

Assembly members:
entity_1, polymer, 90 residues, 10460.995 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DKWTVQPIVLPEKDSWTVND IQKLVGKLNWASQIYPGIKV RQLSKLLRGTKALTEVIPLT EEAELELAENREILKEPVHG VYLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts276
15N chemical shifts86
1H chemical shifts577

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 90 residues - 10460.995 Da.

1   ASPLYSTRPTHRVALGLNPROILEVALLEU
2   PROGLULYSASPSERTRPTHRVALASNASP
3   ILEGLNLYSLEUVALGLYLYSLEUASNTRP
4   ALASERGLNILETYRPROGLYILELYSVAL
5   ARGGLNLEUSERLYSLEULEUARGGLYTHR
6   LYSALALEUTHRGLUVALILEPROLEUTHR
7   GLUGLUALAGLULEUGLULEUALAGLUASN
8   ARGGLUILELEULYSGLUPROVALHISGLY
9   VALTYRLEUGLUHISHISHISHISHISHIS

Samples:

sample_1: entity_1, [U-13C; U-15N], 1 mM; Sodium Phosphate 25 mM; NaCl 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.8; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D SIMULTANEOUS 13C- and 15N- EDITED NOESYsample_1isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

NMR spectrometers:

  • Bruker Avance600 600 MHz
  • Bruker Avance700 700 MHz

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