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 34409

Title: Structure of HIV-1 CAcSP1NC mutant(W41A,M42A) interacting with maturation inhibitor EP39

Deposition date: 2019-06-05 Original release date: 2020-05-15

Authors: Chen, X.; Coric, P.; Larue, V.; Nonin-Lecomte, S.; Bouaziz, S.; Structural Genomics Consortium (SGC), SGC

Citation: Chen, X.; Coric, P.; Larue, V.; Nonin-Lecomte, S.; Bouaziz, S.. "Structure of HIV-1 CAcSP1NC mutant(W41A,M42A) interacting with maturation inhibitor EP39"  . ., .-..

Assembly members:
entity_1, polymer, 157 residues, 17446.146 Da.
entity_ZN, non-polymer, 65.409 Da.

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

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

Entity Sequences (FASTA):
entity_1: MYSPTSILDIRQGPKEPFRD YVDRFYKTLRAEQASQEVKN AATETLLVQNANPDCKTILK ALGPGATLEEMMTACQGVGG PGHKARVLAEAMSQVTNPAT IMIQKGNFRNQRKTVKCFNC GKEGHIAKNCRAPRKKGCWK CGKEGHQMKDCTERQAN

Data sets:
Data typeCount
15N chemical shifts153
1H chemical shifts921

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_2, 12
3entity_2, 22

Entities:

Entity 1, entity_1 157 residues - 17446.146 Da.

1   METTYRSERPROTHRSERILELEUASPILE
2   ARGGLNGLYPROLYSGLUPROPHEARGASP
3   TYRVALASPARGPHETYRLYSTHRLEUARG
4   ALAGLUGLNALASERGLNGLUVALLYSASN
5   ALAALATHRGLUTHRLEULEUVALGLNASN
6   ALAASNPROASPCYSLYSTHRILELEULYS
7   ALALEUGLYPROGLYALATHRLEUGLUGLU
8   METMETTHRALACYSGLNGLYVALGLYGLY
9   PROGLYHISLYSALAARGVALLEUALAGLU
10   ALAMETSERGLNVALTHRASNPROALATHR
11   ILEMETILEGLNLYSGLYASNPHEARGASN
12   GLNARGLYSTHRVALLYSCYSPHEASNCYS
13   GLYLYSGLUGLYHISILEALALYSASNCYS
14   ARGALAPROARGLYSLYSGLYCYSTRPLYS
15   CYSGLYLYSGLUGLYHISGLNMETLYSASP
16   CYSTHRGLUARGGLNALAASN

Entity 2, entity_2, 1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: HIV-1 CAcSP1NC, [U-15N], 300 uM

sample_conditions_1: ionic strength: 25 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D NOESY-HSQCsample_1isotropicsample_conditions_1
3D TOCSY-HSQCsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1

Software:

TopSpin v3.5 pl 7, Bruker Biospin - processing

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment

ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation

TALOS, Cornilescu, Delaglio and Bax - data analysis

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

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