BMRB Entry 17489

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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/BMR17489
MolProbity Validation Chart

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Title:
1H, 13C, and 15N Chemical Shift Assignments for the FF domain L24A mutant
Deposition date:
2011-02-24
Original release date:
2011-06-07
Authors:
Korzhnev, Dmitry; Vernon, Robert; Religa, Tomasz; Hansen, Alex; Baker, David; Fersht, Alan; Kay, Lewis
Citation:

Citation: Korzhnev, Dmitry; Vernon, Robert; Religa, Tomasz; Hansen, Alexandar; Baker, David; Fersht, Alan; Kay, Lewis. "Nonnative interactions in the FF domain folding pathway from an atomic resolution structure of a sparsely populated intermediate: an NMR relaxation dispersion study."  J. Am. Chem. Soc. 133, 10974-10982 (2011).
PubMed: 21639149

Assembly members:

Assembly members:
FF_Domain_L24A, polymer, 70 residues, 5734.680 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FF_Domain_L24A: SQPAKKTYTWNTKEEAKQAF KEALKEKRVPSNASWEQAMK MIINDPRYSALAKLSEKKQA FNAYKVQTEK

Data sets:
Data typeCount
13C chemical shifts205
15N chemical shifts113
1H chemical shifts210
residual dipolar couplings45

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1FF_Domain_L24A1

Entities:

Entity 1, FF_Domain_L24A 70 residues - 5734.680 Da.

1   SERGLNPROALALYSLYSTHRTYRTHRTRP
2   ASNTHRLYSGLUGLUALALYSGLNALAPHE
3   LYSGLUALALEULYSGLULYSARGVALPRO
4   SERASNALASERTRPGLUGLNALAMETLYS
5   METILEILEASNASPPROARGTYRSERALA
6   LEUALALYSLEUSERGLULYSLYSGLNALA
7   PHEASNALATYRLYSVALGLNTHRGLULYS

Samples:

sample_1: FF_Domain_L24A, [U-13C; U-15N; U-2H], 1 – 2 mM; sodium chloride 100 mM; sodium acetate 50 mM

sample_2: FF_Domain_L24A, [U-100% 13C; U-100% 15N; U-50% 2H], 1 – 2 mM; sodium chloride 100 mM; sodium acetate 50 mM

rdc_1: FF_Domain_L24A, [U-13C; U-15N; U-2H], 1 – 2 mM; sodium chloride 100 mM; sodium acetate 50 mM; C12E5/n-hexanol 5%

sample_conditions_1: ionic strength: 145 mM; pH: 5.7; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
CPMGsample_1isotropicsample_conditions_1
CPMGrdc_1isotropicsample_conditions_1

Software:

CS-Rosetta, Yang Shen, Robert Vernon, David Baker and Ad Bax - modeling

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

PALES, Markus Zweckstetter and Ad Bax - data analysis

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 500 MHz

Related Database Links:

BMRB 18010 19591 26520
PDB
DBJ BAB15016 BAG60744
GB AAC27501 AAC27506 AAD39463 AAH11788 AAH29414
REF NP_001099950 NP_001231502 NP_060362 NP_061255 XP_001365479
SP O75400 Q9R1C7
TPG DAA32724
AlphaFold O75400 Q9R1C7

Download HSQC peak lists in one of the following formats:
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