BMRB Entry 6227

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6227
MolProbity Validation Chart

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Title:
Native and non-native conformational preferences in the urea-unfolded state of barstar
Deposition date:
2004-06-09
Original release date:
2004-12-15
Authors:
Bhavesh, Neel; Juneja, Juhi; Udgaonkar, Jayant; Hosur, Ramakrishna
Citation:

Citation: Bhavesh, Neel; Juneja, Juhi; Udgaonkar, Jayant; Hosur, Ramakrishna. "Native and non-native conformational preferences in the urea-unfolded state of barstar "  Protein Sci. 13, 3085-3091 (2004).
PubMed: 15537753

Assembly members:

Assembly members:
Barstar, polymer, 90 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Bacillus amyloliquefaciens   Taxonomy ID: 1390   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Bacillus amyloliquefaciens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pMT316

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Barstar: MKKAVINGEQIRSISDLHQT LKKELALPEYYGENLDALWD CLTGWVEYPLVLEWRQFEQS KQLTENGAESVLQVFREAKA EGCDITIILS

Data sets:
Data typeCount
1H chemical shifts87
13C chemical shifts261
15N chemical shifts87

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Barstar1

Entities:

Entity 1, Barstar 90 residues - Formula weight is not available

1   METLYSLYSALAVALILEASNGLYGLUGLN
2   ILEARGSERILESERASPLEUHISGLNTHR
3   LEULYSLYSGLULEUALALEUPROGLUTYR
4   TYRGLYGLUASNLEUASPALALEUTRPASP
5   CYSLEUTHRGLYTRPVALGLUTYRPROLEU
6   VALLEUGLUTRPARGGLNPHEGLUGLNSER
7   LYSGLNLEUTHRGLUASNGLYALAGLUSER
8   VALLEUGLNVALPHEARGGLUALALYSALA
9   GLUGLYCYSASPILETHRILEILELEUSER

Samples:

sample_1: Barstar, [U-95% 13C; U-90% 15N], 1.1 mM

cond_1: pH: 6.5 na; temperature: 298 K; pressure: 760 mmHg

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQCnot availablenot availablenot available
HNNnot availablenot availablenot available
HN(C)Nnot availablenot availablenot available
HNCOnot availablenot availablenot available
CBCANHnot availablenot availablenot available
CBCA(CO)NHnot availablenot availablenot available

Software:

VNMR v6.1B - data acquisition

Felix v2002 - data processing, analysis

NMR spectrometers:

  • Varian Unity-Plus 600 MHz

Related Database Links:

BMRB 5293 7126
PDB
EMBL CAA33551 CBI41926 CCG48789 CCP20814 CDG25099
GB AAM10782 AAO92245 AAP41138 AAP41140 ABS73233
REF WP_007408543 WP_007610138 WP_013351425 WP_014720882 WP_015239422
SP P11540
AlphaFold P11540

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