BMRB Entry 18138

Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Multi-Drug Resistant HIV-1 Protease Variant, MDR 769
Deposition date:
2011-12-13
Original release date:
2012-09-19
Authors:
De Vera, Ian Mitchelle; Fanucci, Gail
Citation:

Citation: Huang, Xi; de Vera, Ian Mitchelle S; Veloro, Angelo; Rocca, James; Simmerling, Carlos; Dunn, Ben; Fanucci, Gail. "Backbone 1H, 13C, and 15N chemical shift assignment for HIV-1 protease subtypes and multi-drug resistant variant MDR 769."  Biomol. NMR Assignments 7, 199-202 (2013).
PubMed: 22752791

Assembly members:

Assembly members:
HIV-1_protease_MDR_769, polymer, 99 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET23a

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts177
15N chemical shifts88
1H chemical shifts88

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MDR 769, subunit 11
2MDR 769, subunit 21

Entities:

Entity 1, MDR 769, subunit 1 99 residues - Formula weight is not available

1   PROGLNILETHRLEUTRPGLNARGPROILE
2   VALTHRILELYSILEGLYGLYGLNLEULYS
3   GLUALALEULEUASNTHRGLYALAASPASP
4   THRVALLEUGLUGLUVALASNLEUPROGLY
5   ARGTRPLYSPROLYSLEUILEGLYGLYILE
6   GLYGLYPHEVALLYSVALARGGLNTYRASP
7   GLNVALPROILEGLUILEALAGLYHISLYS
8   VALILEGLYTHRVALLEUVALGLYPROTHR
9   PROALAASNVALILEGLYARGASNLEUMET
10   THRGLNILEGLYALATHRLEUASNPHE

Samples:

MDR_769_sample: HIV-1 protease MDR 769, [U-99% 13C; U-99% 15N], 100 uM; sodium acetate, [U-99% 2H], 2 mM

MDR_769_conditions: pH: 5.00; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCMDR_769_sampleisotropicMDR_769_conditions
3D CBCA(CO)NHMDR_769_sampleisotropicMDR_769_conditions
3D HNCACBMDR_769_sampleisotropicMDR_769_conditions
3D HNCAMDR_769_sampleisotropicMDR_769_conditions
3D HN(CO)CAMDR_769_sampleisotropicMDR_769_conditions

Software:

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

SPARKY, Goddard - chemical shift assignment, peak picking

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

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB

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