BMRB Entry 16630

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16630

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Title:
1H, 13C and 15N NMR assignments of StnII-Y111N, a mutant of the sea anemone actinoporin Sticholysin II
Deposition date:
2009-12-09
Original release date:
2010-08-23
Authors:
Pardo-Cea, Miguel; Bruix, Marta; Santoro, Jorge
Citation:

Citation: Pardo-Cea, Miguel; Alegre-Cebollada, Jorge; Martinez-Del-Pozo, Alvaro; Gavilanes, Jose; Bruix, Marta. "1H, 13C, and 15N NMR assignments of StnII-Y111N, a highly impaired mutant of the sea anemone actinoporin Sticholysin II"  Biomol. NMR Assignments 4, 69-72 (2010).
PubMed: 20165934

Assembly members:

Assembly members:
stnIIY111N, polymer, 175 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Stichodactyla helianthus   Taxonomy ID: 6123   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Stichodactyla helianthus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pQE60

Entity Sequences (FASTA):

Entity Sequences (FASTA):
stnIIY111N: ALAGTIIAGASLTFQVLDKV LEELGKVSRKIAVGIDNESG GTWTALNAYFRSGTTDVILP EFVPNTKALLYSGRKDTGPV ATGAVAAFAYYMSSGNTLGV MFSVPFDYNWNSNWWDVKIY SGKRRADQGMYEDLYYGNPY RGDNGWHEKNLGYGLRMKGI MTSAGEAKMQIKISR

Data sets:
Data typeCount
13C chemical shifts750
15N chemical shifts195
1H chemical shifts1224

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1stnIIY111N1

Entities:

Entity 1, stnIIY111N 175 residues - Formula weight is not available

1   ALALEUALAGLYTHRILEILEALAGLYALA
2   SERLEUTHRPHEGLNVALLEUASPLYSVAL
3   LEUGLUGLULEUGLYLYSVALSERARGLYS
4   ILEALAVALGLYILEASPASNGLUSERGLY
5   GLYTHRTRPTHRALALEUASNALATYRPHE
6   ARGSERGLYTHRTHRASPVALILELEUPRO
7   GLUPHEVALPROASNTHRLYSALALEULEU
8   TYRSERGLYARGLYSASPTHRGLYPROVAL
9   ALATHRGLYALAVALALAALAPHEALATYR
10   TYRMETSERSERGLYASNTHRLEUGLYVAL
11   METPHESERVALPROPHEASPTYRASNTRP
12   ASNSERASNTRPTRPASPVALLYSILETYR
13   SERGLYLYSARGARGALAASPGLNGLYMET
14   TYRGLUASPLEUTYRTYRGLYASNPROTYR
15   ARGGLYASPASNGLYTRPHISGLULYSASN
16   LEUGLYTYRGLYLEUARGMETLYSGLYILE
17   METTHRSERALAGLYGLUALALYSMETGLN
18   ILELYSILESERARG

Samples:

sample_1: stnIIY111N, [U-100% 13C; U-100% 15N], 0.5 ± 0.1 mM; H2O 90%; D2O 10%

sample_2: stnIIY111N, [U-100% 13C; U-100% 15N], 0.5 ± 0.1 mM; D2O 100%

sample_conditions_1: pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_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 HNCACBsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

SPARKY v3.112, Goddard - chemical shift assignment, data analysis, peak picking

GARANT v2.5, Bartels, Guntert, Billeter and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

BMRB 16362
PDB
EMBL CAC20912
SP P07845
AlphaFold P07845

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