BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 19689

Title: Resonance assignments of a phytocystatin from Sesamum indicum L.

Deposition date: 2013-12-18 Original release date: 2016-02-29

Authors: Deli, Irene; Hu, Yu-Jyun; Chyan, Chia-Lin

Citation: Deli, Irene; Hu, Yu-Jyun; Chyan, Chia-Lin. "Resonance assignments and secondary structure of a phytocystatin from Sesamum indicum L."  Biomol. NMR Assignments ., .-..

Assembly members:
SiCYS, polymer, 199 residues, Formula weight is not available

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
SiCYS: MATLGGVHDSNSNPDTHSLA RFAVDQHNTKENGLLELVRV VEAREQVVAGTLHHLVLEVL DAGKKKLYEAKIWVKPWMDF KQLQEFKHVRDVPSFTSSDL GAKTDDQVSGWRPVPVHDPV VQDAAHHAIKTIQERSNSLF PYELSEVVHANAEVVDTSAK FDMLLKVKRGGKEEKYKVEV HKSTEEGGFNLKKVDLDHS

Data sets:
Data typeCount
13C chemical shifts788
15N chemical shifts201
1H chemical shifts1355

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SiCYS1

Entities:

Entity 1, SiCYS 199 residues - Formula weight is not available

1   METALATHRLEUGLYGLYVALHISASPSER
2   ASNSERASNPROASPTHRHISSERLEUALA
3   ARGPHEALAVALASPGLNHISASNTHRLYS
4   GLUASNGLYLEULEUGLULEUVALARGVAL
5   VALGLUALAARGGLUGLNVALVALALAGLY
6   THRLEUHISHISLEUVALLEUGLUVALLEU
7   ASPALAGLYLYSLYSLYSLEUTYRGLUALA
8   LYSILETRPVALLYSPROTRPMETASPPHE
9   LYSGLNLEUGLNGLUPHELYSHISVALARG
10   ASPVALPROSERPHETHRSERSERASPLEU
11   GLYALALYSTHRASPASPGLNVALSERGLY
12   TRPARGPROVALPROVALHISASPPROVAL
13   VALGLNASPALAALAHISHISALAILELYS
14   THRILEGLNGLUARGSERASNSERLEUPHE
15   PROTYRGLULEUSERGLUVALVALHISALA
16   ASNALAGLUVALVALASPTHRSERALALYS
17   PHEASPMETLEULEULYSVALLYSARGGLY
18   GLYLYSGLUGLULYSTYRLYSVALGLUVAL
19   HISLYSSERTHRGLUGLUGLYGLYPHEASN
20   LEULYSLYSVALASPLEUASPHISSER

Samples:

SiCYS_Full: SiCYS, [U-100% 13C; U-100% 15N], 80 uM

sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCSiCYS_Fullisotropicsample_conditions_1
2D 1H-13C HSQCSiCYS_Fullisotropicsample_conditions_1
3D HNCOSiCYS_Fullisotropicsample_conditions_1
3D HNCASiCYS_Fullisotropicsample_conditions_1
3D HN(CO)CASiCYS_Fullisotropicsample_conditions_1
3D HBHA(CO)NHSiCYS_Fullisotropicsample_conditions_1
3D 1H-15N NOESYSiCYS_Fullisotropicsample_conditions_1
3D 1H-13C NOESYSiCYS_Fullisotropicsample_conditions_1

Software:

AURELIA, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

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