BMRB Entry 28012

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR28012

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Title:
Backbone resonance assignments for Human Focal Adhesion Targeting domain (892-1052)
Deposition date:
2019-09-10
Original release date:
2019-10-15
Authors:
Alvarado, Carlos; Cance, William; Marlowe, Timothy
Citation:

Citation: Alvarado, Carlos; Stahl, Erik; Koessel, Karissa; Rivera, Andrew; Cherry, Brian; Pulavarti, Surya; Szyperski, Thomas; Cance, William; Marlowe, Timothy. "Development of a fragment-based screening assay for the focal adhesion targeting domain using SPR and NMR"  Molecules 24, E3352-E3352 (2019).
PubMed: 31540099

Assembly members:

Assembly members:
Human_Focal_Adhesion_Targeting_domain, polymer, 165 residues, Formula weight is not available

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: pET15B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Human_Focal_Adhesion_Targeting_domain: GSHMSSPADSYNEGVKLQPQ EISPPPTANLDRSNDKVYEN VTGLVKAVIEMSSKIQPAPP EEYVPMVKEVGLALRTLLAT VDETIPLLPASTHREIEMAQ KLLNSDLGELINKMKLAQQY VMTSLQQEYKKQMLTAAHAL AVDAKNLLDVIDQARLKMLG QTRPH

Data sets:
Data typeCount
13C chemical shifts451
15N chemical shifts138
1H chemical shifts516

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HFAT-8921

Entities:

Entity 1, HFAT-892 165 residues - Formula weight is not available

1   GLYSERHISMETSERSERPROALAASPSER
2   TYRASNGLUGLYVALLYSLEUGLNPROGLN
3   GLUILESERPROPROPROTHRALAASNLEU
4   ASPARGSERASNASPLYSVALTYRGLUASN
5   VALTHRGLYLEUVALLYSALAVALILEGLU
6   METSERSERLYSILEGLNPROALAPROPRO
7   GLUGLUTYRVALPROMETVALLYSGLUVAL
8   GLYLEUALALEUARGTHRLEULEUALATHR
9   VALASPGLUTHRILEPROLEULEUPROALA
10   SERTHRHISARGGLUILEGLUMETALAGLN
11   LYSLEULEUASNSERASPLEUGLYGLULEU
12   ILEASNLYSMETLYSLEUALAGLNGLNTYR
13   VALMETTHRSERLEUGLNGLNGLUTYRLYS
14   LYSGLNMETLEUTHRALAALAHISALALEU
15   ALAVALASPALALYSASNLEULEUASPVAL
16   ILEASPGLNALAARGLEULYSMETLEUGLY
17   GLNTHRARGPROHIS

Samples:

sample_1: TRIS 100 mM; sodium chloride 100 mM; DTT 2 mM; sodium azide 0.02%; D2O, [U-99% 2H], 10 mM; DSS 50 uM; Human Focal Adhesion Targeting domain, [U-13C; U-15N], 0.5 mM

sample_conditions_1: ionic strength: 0.2 M; pH: 8.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphatic (constant time)sample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromatic (constant time)sample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D [H]-NOESY-[NH/CH]sample_1isotropicsample_conditions_1
1D 1Hsample_1isotropicsample_conditions_1

Software:

PROSA v6.7, Guntert - processing

VNMR, Varian - collection

XEASY, Bartels et al. - chemical shift assignment

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Varian DD2 600 MHz
  • Varian INOVA 750 MHz

Related Database Links:

UNP Q05397
AlphaFold Q9UD85

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