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 16695

Title: Backbone Assignments for the HIV-1 Integrase Core Domain (residues 50-212)   PubMed: 20363759

Deposition date: 2010-01-29 Original release date: 2010-05-05

Authors: Fitzkee, Nicholas; Masse, James; Shen, Yang; Davies, David; Bax, Ad

Citation: Fitzkee, Nicholas; Masse, James; Shen, Yang; Davies, David; Bax, Ad. "Solution conformation and dynamics of the HIV-1 integrase core domain."  J. Biol. Chem. 285, 18072-18084 (2010).

Assembly members:
Integrase_Core_Domain, polymer, 166 residues, Formula weight is not available

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-15b

Entity Sequences (FASTA):
Integrase_Core_Domain: GSHMHGEVDSSPGIWQLDCT HLEGKVILVAVHVASGYIEA EVIPAETGQETAYFLLKLAG RWPVKTVHTDNGSNFTSTTV KAACEWAGIKQEFGIPYNPQ SQGVIESMNKELKKIIGQVR DQAEHLKTAVQMAVFIHNKK RKGGIGGYSAGERIVDIIAT DIETKE

Data sets:
Data typeCount
13C chemical shifts489
15N chemical shifts158
1H chemical shifts158

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Integrase, chain 11
2Integrase, chain 21

Entities:

Entity 1, Integrase, chain 1 166 residues - Formula weight is not available

1   GLYSERHISMETHISGLYGLUVALASPSER
2   SERPROGLYILETRPGLNLEUASPCYSTHR
3   HISLEUGLUGLYLYSVALILELEUVALALA
4   VALHISVALALASERGLYTYRILEGLUALA
5   GLUVALILEPROALAGLUTHRGLYGLNGLU
6   THRALATYRPHELEULEULYSLEUALAGLY
7   ARGTRPPROVALLYSTHRVALHISTHRASP
8   ASNGLYSERASNPHETHRSERTHRTHRVAL
9   LYSALAALACYSGLUTRPALAGLYILELYS
10   GLNGLUPHEGLYILEPROTYRASNPROGLN
11   SERGLNGLYVALILEGLUSERMETASNLYS
12   GLULEULYSLYSILEILEGLYGLNVALARG
13   ASPGLNALAGLUHISLEULYSTHRALAVAL
14   GLNMETALAVALPHEILEHISASNLYSLYS
15   ARGLYSGLYGLYILEGLYGLYTYRSERALA
16   GLYGLUARGILEVALASPILEILEALATHR
17   ASPILEGLUTHRLYSGLU

Samples:

sample_1: Integrase Core Domain, [U-13C; U-15N; U-2H], 300-700 uM; HEPES 20 mM; sodium chloride 150 mM; magnesium chloride 40 mM; TCEP 2 mM; sodium azide 0.02 % w/v

sample_conditions_1: ionic strength: 0.25 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D HN(CA)CBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment

CARA, Keller, Wutrich - chemical shift assignment

AutoLink, Masse, Keller - chemical shift assignment

NMR spectrometers:

  • Bruker DRX 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
GB ABO92709 AEM00300 AEM00302 AEM00305 AEM00307

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts