BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 25548

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25548
MolProbity Validation Chart

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Title: structure of a peptide   PubMed: 26195789

Deposition date: 2015-03-23 Original release date: 2015-07-27

Authors: Heddi, Brahim; Cheong, Vee Vee; Martadinata, Herry; Phan, Anh Tuan

Citation: Heddi, Brahim; Cheong, Vee Vee; Martadinata, Herry; Phan, Anh Tuan. "Insights into G-quadruplex specific recognition by the DEAH-box helicase RHAU: Solution structure of a peptide-quadruplex complex"  Proc. Natl. Acad. Sci. U.S.A. 112, 9608-9613 (2015).

Assembly members:
entity, polymer, 20 residues, 2360.817 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
entity: SMHPGHLKGREIGMWYAKKQ

Data sets:
Data typeCount
13C chemical shifts77
15N chemical shifts17
1H chemical shifts113

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 20 residues - 2360.817 Da.

1   SERMETHISPROGLYHISLEULYSGLYARG
2   GLUILEGLYMETTRPTYRALALYSLYSGLN

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 0.1 – 1 mM; potassium chloride10 – 70 mM; potassium phosphate10 – 20 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 90 mM; pH: 6.5; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Braun and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 700 MHz

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