BMRB Entry 17258

Title:
Resonance assignments and secondary structure of a phytocystatin from Ananas comosus
Deposition date:
2010-10-19
Original release date:
2011-08-17
Authors:
Chyan, Chia-Lin; Deli, Irene; Chen, Bo-Jiun
Citation:

Citation: Irene, Deli; Chen, Bo-Jiun; Lo, Si-Hung; Liu, Ting-Hang; Tzen, Jason T-C; Chyan, Chia-Lin. "Resonance assignments and secondary structure of a phytocystatin from Ananas comosus."  Biomol. NMR Assignments 6, 99-101 (2012).
PubMed: 21814766

Assembly members:

Assembly members:
Pineapple_Cystatin, polymer, 135 residues, 15472.320 Da.

Natural source:

Natural source:   Common Name: pineapple   Taxonomy ID: 4615   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Ananas comosus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a

Data sets:
Data typeCount
13C chemical shifts549
15N chemical shifts144
1H chemical shifts959

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Pineapple Cystatin1

Entities:

Entity 1, Pineapple Cystatin 135 residues - 15472.320 Da.

1   METALAASPGLUGLNPROLYSLYSPROVAL
2   PROALAALAGLUGLUALAPROALAALAGLU
3   ALAGLUALAGLUGLUGLUGLUGLYLEUHIS
4   LEUGLUASPASPGLNGLUPROARGGLUHIS
5   PROILEMETGLYGLYILETYRASPALAPRO
6   LEUASNASNGLUASNGLYPHEASPLYSGLU
7   ASPLEUALAARGPHEALAVALARGGLUTYR
8   ASNASNLYSASNASNALALEULEUGLUPHE
9   VALARGVALVALLYSALALYSGLUGLNVAL
10   VALSERGLYMETMETHISTYRLEUTHRVAL
11   GLUVALASNASPALAGLYLYSLYSLYSLEU
12   TYRGLUALALYSVALTRPGLUGLNVALTRP
13   METASNPHEARGGLNLEUGLNGLUPHETHR
14   TYRLEUGLYASPALA

Samples:

AcCYS_1: Pineapple Cystatin, [U-99% 13C; U-99% 15N], 0.7 – 1 mM; KCl 20 mM; NaN3 1 mM; 2-mercaptoethanol 1 mM; Benzamidine 4 mM; H2O 90%; D2O 10%

AcCYS_2: Pineapple Cystatin, [U-99% 13C; U-99% 15N], 0.7 – 1 mM; KCl 20 mM; NaN3 1 mM; 2-mercaptoethanol 1 mM; Benzamidine 4 mM; D2O 100%

sample_conditions_1: ionic strength: 0.02 M; pH: 6.5; pressure: 1 atm; temperature: 303 K

sample_conditions_2: ionic strength: 0.02 M; pH: 6.1; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCAcCYS_1isotropicsample_conditions_1
2D 1H-13C HSQCAcCYS_2isotropicsample_conditions_2
3D HNCAAcCYS_1isotropicsample_conditions_1
3D HN(CO)CAAcCYS_1isotropicsample_conditions_1
3D HNCOAcCYS_1isotropicsample_conditions_1
3D HN(CA)COAcCYS_1isotropicsample_conditions_1
3D CBCA(CO)NHAcCYS_1isotropicsample_conditions_1
3D HNCACBAcCYS_1isotropicsample_conditions_1
3D C(CO)NHAcCYS_1isotropicsample_conditions_1
3D HBHA(CO)NHAcCYS_1isotropicsample_conditions_1
3D H(CCO)NHAcCYS_1isotropicsample_conditions_1
2D DQF-COSYAcCYS_2isotropicsample_conditions_2
2D 1H-1H NOESYAcCYS_2isotropicsample_conditions_2
3D HCCH-COSYAcCYS_2isotropicsample_conditions_2
3D HCCH-TOCSYAcCYS_2isotropicsample_conditions_2
3D 1H-15N NOESYAcCYS_1isotropicsample_conditions_1
3D 1H-13C NOESYAcCYS_2isotropicsample_conditions_2
2D 1H-1H TOCSYAcCYS_2isotropicsample_conditions_2

Software:

CYANA v2.1, Bruker Biospin, Brunger, Adams, Clore, Gros, Nilges and Read, Guntert, Mumenthaler and Wuthrich, Koradi, Billeter and Wuthrich, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - chemical shift calculation, data analysis, processing, refinement, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
GB AAQ07259 ACL14375

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