BMRB Entry 18138

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18138

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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):

Entity Sequences (FASTA):
HIV-1_protease_MDR_769: PQITLWQRPIVTIKIGGQLK EALLNTGADDTVLEEVNLPG RWKPKLIGGIGGFVKVRQYD QVPIEIAGHKVIGTVLVGPT PANVIGRNLMTQIGATLNF

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

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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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

Related Database Links:

PDB 1RPI 1RQ9 1RV7 1TW7 3OQ7 3OQA 3OQD 3OTS 3OTY 3OU1 3OU3 3OU4 3OUA 3OUB 3OUC 3OUD 3PJ6 3R0W 3R0Y 4EYR 4FAE 4FAF 4L1A 4NKK

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