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BMRB Entry 18010

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18010
MolProbity Validation Chart

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Title: FF11-60   PubMed: 22148426

Deposition date: 2011-10-19 Original release date: 2011-11-21

Authors: Barette, Julia; Velyvis, Algirdas; Religa, Tomasz; Korzhnev, Dmitry; Kay, Lewis

Citation: Barette, Julia; Velyvis, Algirdas; Religa, Tomasz; Korzhnev, Dmitry; Kay, Lewis. "Cross-validation of the structure of a transiently formed and low populated FF domain folding intermediate determined by relaxation dispersion NMR and CS-Rosetta."  J. Phys. Chem. B 116, 6637-6644 (2012).

Assembly members:
FF11-60, polymer, 50 residues, 5088.965 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):
FF11-60: GNTKEEAKQAFKELLKEKRV PSNASWEQAMKMIINDPRYS ALAKLSEKKQ

Data sets:
Data typeCount
13C chemical shifts217
15N chemical shifts51
1H chemical shifts354

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1FF11-601

Entities:

Entity 1, FF11-60 50 residues - 5088.965 Da.

1   GLYASNTHRLYSGLUGLUALALYSGLNALA
2   PHELYSGLULEULEULYSGLULYSARGVAL
3   PROSERASNALASERTRPGLUGLNALAMET
4   LYSMETILEILEASNASPPROARGTYRSER
5   ALALEUALALYSLEUSERGLULYSLYSGLN

Samples:

sample_1: sodium acetate 20 mM; sodium chloride 50 mM; sodium azide 0.05%; FF11-60, [U-100% 13C; U-100% 15N], 1 mM; H2O 95%; D2O 5%

sample_2: sodium acetate 20 mM; sodium chloride 50 mM; sodium azide 0.05%; FF11-60 A51L, [U-100% 13C; U-100% 15N], 1 mM; H2O 95%; D2O 5%

sample_3: 20mM sodium acetate 20 mM; 50 mM sodium chloride 50 mM; 0.05% sodium azide 0.05%; FF11-60, [U-10% 13C; U-100% 15N], 1 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.070 M; pH: 4.8; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCACONNHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCC-TOCSYsample_1isotropicsample_conditions_1
3D CCC-TOCSYsample_1isotropicsample_conditions_1
3D HACACONNHsample_1isotropicsample_conditions_1
3D NC-NOESY (simultaneous N and C)sample_1isotropicsample_conditions_1
3D methyl-methyl NOESYsample_2isotropicsample_conditions_1
3D 1H(ALA)-13C(ALA)-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView v5, Johnson, One Moon Scientific - chemical shift assignment

X-PLOR NIH v2.23, Schwieters, Kuszewski, Tjandra and Clore - structure solution

TALOS+, Cornilescu, Delaglio and Bax - structure solution

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 800 MHz

Related Database Links:

BMRB 17489 19591 26520
PDB
DBJ BAB15016 BAB61719 BAB68206 BAG60744
GB AAC27501 AAC27506 AAD39463 AAH11788 AAH29414
REF NP_001099950 NP_001121292 NP_001231502 NP_001243869 NP_001243870
SP O75400 Q9R1C7
TPG DAA32724

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