BMRB Entry 25505

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25505
MolProbity Validation Chart

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Title:
CCR5-ECL2 helical structure, residues Q186-T195.
Deposition date:
2015-02-26
Original release date:
2015-04-20
Authors:
Abayev, Meital; Anglister, Jacob
Citation:

Citation: Anglister, Jacob; Abayev, Meital; Moseri, Adi; Tchaicheeyan, Oren; Kessler, Naama; Arshava, Boris; Naider, Fred; Scherf, Tali. "An extended CCR5 ECL2 peptide forms a helix that binds HIV-1 gp120 through non-specific hydrophobic interactions"  FEBS J. 282, 1906-1921 (2015).
PubMed: 25703038

Assembly members:

Assembly members:
entity, polymer, 10 residues, 1390.537 Da.

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: Pet24a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: QYQFWKNFQT

Data sets:
Data typeCount
13C chemical shifts30
15N chemical shifts10
1H chemical shifts20

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 10 residues - 1390.537 Da.

1   GLNTYRGLNPHETRPLYSASNPHEGLNTHR

Samples:

sample_1: entity, [U-99% 2H], 20 mM; Thiomersal 0.005 % v/v; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 mM; pH: 4.8; pressure: 1 atm; temperature: 277 K

Experiments:

NameSampleSample stateSample conditions
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1

Software:

X-PLOR_NIH v2.31, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker Avance 800 MHz

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