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 16777

Title: nmr chemical shift of hahellin in 8 M urea

Deposition date: 2010-03-13 Original release date: 2012-08-03

Authors: Chary, Kandala; Srivastava, Atul

Citation: Chary, Kandala; Srivastava, Atul. "sequence specific resonance assignment of hahellin in 8 M urea"  Not known ., .-..

Assembly members:
hahellin, polymer, 92 residues, Formula weight is not available

Natural source:   Common Name: Hahella chejuensis   Taxonomy ID: 158327   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Hahella chejuensis

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

Entity Sequences (FASTA):
hahellin: MGEKTVKLYEDTHFKGYSVE LPVGDYNLSSLISRGALNDD LSSARVPSGLRLEVFQHNNF KGVRDFYTSDAAELSRDNDA SSVRVSKMETTN

Data sets:
Data typeCount
13C chemical shifts240
15N chemical shifts82
1H chemical shifts296

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1beta gmma-crystallin domain1

Entities:

Entity 1, beta gmma-crystallin domain 92 residues - Formula weight is not available

1   METGLYGLULYSTHRVALLYSLEUTYRGLU
2   ASPTHRHISPHELYSGLYTYRSERVALGLU
3   LEUPROVALGLYASPTYRASNLEUSERSER
4   LEUILESERARGGLYALALEUASNASPASP
5   LEUSERSERALAARGVALPROSERGLYLEU
6   ARGLEUGLUVALPHEGLNHISASNASNPHE
7   LYSGLYVALARGASPPHETYRTHRSERASP
8   ALAALAGLULEUSERARGASPASNASPALA
9   SERSERVALARGVALSERLYSMETGLUTHR
10   THRASN

Samples:

sample_1: hahellin, [U-100% 15N], 800 uM; D2O, [U-2H], 8%; TRIS 10 mM; sodium chloride 300 mM; calcium chloride 20 mM; H2O 92%; Urea 8 M

sample_2: hahellin, [U-100% 13C; U-100% 15N], 700 uM; D2O 8%; TRIS 10 mM; sodium chloride 300 mM; calcium chloride 20 mM; Urea 8 M; H2O 92%

sample_conditions_1: pH: 6.75; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1

Software:

FELIX, Accelrys Software Inc. - chemical shift calculation, processing

CARA, (CANTINA) Verlag Goldau - chemical shift assignment

VNMR, Varian - collection

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

BMRB 15743 18446
PDB
GB ABC29838
REF WP_011396907

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