BMRB Entry 34998

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34998
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Title:
Solution NMR structure of the titin I-band tandem I82-I83
Deposition date:
2025-06-09
Original release date:
2025-11-10
Authors:
Pfuhl, M.
Citation:

Citation: Kelly, C.; Jerusal, J.; Pfuhl, M.; Gage, M.. "Cooperativity and Stability of Tandem I82-I83 Enhanced by Calcium Binding"  .

Assembly members:

Assembly members:
entity_1, polymer, 185 residues, 20870.299 Da.

Natural source:

Natural source:   Common Name: Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21   Vector: pET-151-TOPO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: PAWERHLQDVTLKEGQTCTM TCQFSVPNVKSEWFRNGRVL KPQGRVKTEVEHKVHKLTIA DVRAEDQGQYTCKHEDLETS AELRIEAEPIQFTKRIQNIV VSEHQSATFECEVSFDDAIV TWYKGPTELTESQKYNFRND GRCHYMTIHNVTPDDEGVYS VIARLEPRGEARSTAELKGE LRSGC

Data sets:
Data typeCount
15N chemical shifts191
1H chemical shifts695

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 185 residues - 20870.299 Da.

1   PROALATRPGLUARGHISLEUGLNASPVAL
2   THRLEULYSGLUGLYGLNTHRCYSTHRMET
3   THRCYSGLNPHESERVALPROASNVALLYS
4   SERGLUTRPPHEARGASNGLYARGVALLEU
5   LYSPROGLNGLYARGVALLYSTHRGLUVAL
6   GLUHISLYSVALHISLYSLEUTHRILEALA
7   ASPVALARGALAGLUASPGLNGLYGLNTYR
8   THRCYSLYSHISGLUASPLEUGLUTHRSER
9   ALAGLULEUARGILEGLUALAGLUPROILE
10   GLNPHETHRLYSARGILEGLNASNILEVAL
11   VALSERGLUHISGLNSERALATHRPHEGLU
12   CYSGLUVALSERPHEASPASPALAILEVAL
13   THRTRPTYRLYSGLYPROTHRGLULEUTHR
14   GLUSERGLNLYSTYRASNPHEARGASNASP
15   GLYARGCYSHISTYRMETTHRILEHISASN
16   VALTHRPROASPASPGLUGLYVALTYRSER
17   VALILEALAARGLEUGLUPROARGGLYGLU
18   ALAARGSERTHRALAGLULEULYSGLYGLU
19   LEUARGSERGLYCYS

Samples:

sample_1: I82-I83, [U-95% 15N], 0.5 ± 0.05 mM; sodium chloride 50 ± 1 mM; sodium phosphate 20 ± 1 mM; DTT 2 ± 0.1 mM; sodium azide 0.02 ± 0.001 % w/v

sample_2: I82-I83, [U-95% 15N], 0.3 ± 0.05 mM; sodium chloride 50 ± 1 mM; sodium phosphate 20 ± 1 mM; DTT 2 ± 0.1 mM; sodium azide 0.02 ± 0.001 % w/v

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N IPAPsample_2anisotropicsample_conditions_1

Software:

TopSpin v4.0, Bruker Biospin - processing

CcpNmr Analysis v3.2, CCPN - data analysis

HADDOCK v2.4, Bonvin - structure calculation

NMR spectrometers:

  • Bruker AVANCE III 800 MHz
  • Bruker AVANCE 700 MHz

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