BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 36171

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR36171
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Title: NMR structure of IRD12 from Capsicum annum.   PubMed: 30229451

Deposition date: 2018-03-06 Original release date: 2019-03-25

Authors: Gartia, J.; Barnwal, R.; Chary, K.

Citation: Gartia, Janeka; Barnwal, Ravi Pratap; Anangi, Raveendra; Giri, Ashok; King, Glenn; Chary, Kandala. "1H, 13C and 15N NMR assignments of two plant protease inhibitors (IRD7 and IRD12) from the plant Capsicum annuum"  Biomol. NMR Assign. 13, 31-35 (2019).

Assembly members:
entity_1, polymer, 50 residues, 5429.053 Da.

Natural source:   Common Name: Bell pepper   Taxonomy ID: 4072   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Capsicum annuum

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

Entity Sequences (FASTA):
entity_1: NRLCTNCCAGRKGCNYYSAD GTFICEGESDPNNPKACPRN CDPNIAYSLC

Data sets:
Data typeCount
13C chemical shifts188
15N chemical shifts55
1H chemical shifts259
T1 relaxation values45
T2 relaxation values45
heteronuclear NOE values45

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 50 residues - 5429.053 Da.

1   ASNARGLEUCYSTHRASNCYSCYSALAGLY
2   ARGLYSGLYCYSASNTYRTYRSERALAASP
3   GLYTHRPHEILECYSGLUGLYGLUSERASP
4   PROASNASNPROLYSALACYSPROARGASN
5   CYSASPPROASNILEALATYRSERLEUCYS

Samples:

sample_1: IRD12, [U-13C; U-15N], 0.6 mM; Acetate 25 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 25 mM; pH: 4.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNMR, CCPN - data analysis, peak picking

TOPSPIN v3.97, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker AvanceIII 800 MHz

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