BMRB Entry 51591

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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/BMR51591
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Single alpha helix peptide (P3-7)2
Deposition date:
2022-08-22
Original release date:
2022-11-04
Authors:
Escobedo, Albert; Piccirillo, Jonathan; Aranda, Juan; Diercks, Tammo; Mateos, Borja; Garcia-Cabau, Carla; Sanchez-Navarro, Macarena; Topal, Busra; Biesaga, Mateusz; Staby, Lasse; Kragelund, Birthe; Garcia, Jesus; Millet, Oscar; Orozco, Modesto; Coles, Murray; Crehuet, Ramon; Salvatella, Xavier
Citation:

Citation: Escobedo, Albert; Piccirillo, Jonathan; Aranda, Juan; Diercks, Tammo; Mateos, Borja; Garcia-Cabau, Carla; Sanchez-Navarro, Macarena; Topal, Busra; Biesaga, Mateusz; Staby, Lasse; Kragelund, Birthe; Garcia, Jesus; Millet, Oscar; Orozco, Modesto; Coles, Murray; Crehuet, Ramon; Salvatella, Xavier. "A glutamine-based single alpha-helix scaffold to target globular proteins"  Nat. Commun. 13, 7073-7073 (2022).
PubMed: 36400768

Assembly members:

Assembly members:
entity_1, polymer, 25 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pDEST17

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KKPGASLAALQALQALQAAQ AAKKY

Data typeCount
13C chemical shifts127
15N chemical shifts52
1H chemical shifts305
T1 relaxation values50
T2 relaxation values50
heteronuclear NOE values50
residual dipolar couplings58
spectral density values24

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1(P3-7)21

Entities:

Entity 1, (P3-7)2 25 residues - Formula weight is not available

1   LYSLYSPROGLYALASERLEUALAALALEU
2   GLNALALEUGLNALALEUGLNALAALAGLN
3   ALAALALYSLYSTYR

Samples:

sample_1: (P3-7)2, [U-100% 13C; U-100% 15N], 100 uM; DSS 10 uM; sodium phosphate 20 mM

sample_2: (P3-7)2, [U-100% 15N], 100 uM; DSS 10 uM; phosphoric acid 20 mM

sample_3: (P3-7)2, [U-100% 13C; U-100% 15N], 100 uM; DSS 10 uM; phosphoric acid 20 mM

sample_conditions_1: ionic strength: 120 mM; pH: 7.4; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
2D CACOsample_1isotropicsample_conditions_1
2D CONsample_1isotropicsample_conditions_1
3D [H]C,NH HSQC-NOESY-HSQCsample_1isotropicsample_conditions_1
3D [H]CC[CA]NH TOCSYsample_1isotropicsample_conditions_1
3D [H]CC[CO]NH TOCSYsample_1isotropicsample_conditions_1
T1/R1 relaxationsample_2isotropicsample_conditions_1
T1/R1 relaxationsample_2isotropicsample_conditions_1
T2/R2 relaxationsample_2isotropicsample_conditions_1
T2/R2 relaxationsample_2isotropicsample_conditions_1
1H-15N heteronoesample_2isotropicsample_conditions_1
1H-15N heteronoesample_2isotropicsample_conditions_1
2D 1H-15N BEST-TROSYsample_3anisotropicsample_conditions_1
2D 1H-15N HSQC no 13C decouplingsample_3anisotropicsample_conditions_1
2D 1H-15N BEST-TROSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQC no 13C decouplingsample_1isotropicsample_conditions_1

Software:

CcpNMR - chemical shift assignment

TOPSPIN - collection, processing

NMRPipe - processing

qMDD - processing

MATLAB - data analysis

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz
  • Bruker AVANCE III 600 MHz

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