BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 25495

Title: Structure and dynamics of the acidosis-resistant a162H mutant of the switch region of troponin I bound to the regulatory domain of troponin C   PubMed: 25996354

Authors: Pineda Sanabria, Sandra; Robertson, Ian; Sykes, Brian

Citation: Pineda Sanabria, Sandra; Robertson, Ian; Sykes, Brian. "Structure and dynamics of the acidosis-resistant A162H mutant of the switch region of troponin I bound to the regulatory domain of troponin C"  Biochemistry 54, 3583-3593 (2015).

Assembly members:
cNTnC, polymer, 89 residues, 10070.361 Da.
cTnIA162H, polymer, 27 residues, 3072.655 Da.
entity_CA, non-polymer, 40.078 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
cNTnC: MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRCMKDDS
cTnIA162H: RRVRISADAMMQALLGARHK ESLDLRA

Data sets:
Data typeCount
13C chemical shifts239
15N chemical shifts83
1H chemical shifts731

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22
3entity_33

Entities:

Entity 1, entity_1 89 residues - 10070.361 Da.

1   METASPASPILETYRLYSALAALAVALGLU
2   GLNLEUTHRGLUGLUGLNLYSASNGLUPHE
3   LYSALAALAPHEASPILEPHEVALLEUGLY
4   ALAGLUASPGLYCYSILESERTHRLYSGLU
5   LEUGLYLYSVALMETARGMETLEUGLYGLN
6   ASNPROTHRPROGLUGLULEUGLNGLUMET
7   ILEASPGLUVALASPGLUASPGLYSERGLY
8   THRVALASPPHEASPGLUPHELEUVALMET
9   METVALARGCYSMETLYSASPASPSER

Entity 2, entity_2 27 residues - 3072.655 Da.

1   ARGARGVALARGILESERALAASPALAMET
2   METGLNALALEULEUGLYALAARGHISLYS
3   GLUSERLEUASPLEUARGALA

Entity 3, entity_3 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: cNTnC, [U-15N], 0.9 mM; cTnIA162H 3.6 mM; Calcium 10 mM; imidazole 10 mM; DSS, [U-2H], 0.25 mM; DTT 10 mM; Potassium chloride 100 mM

sample_2: cNTnC, [U-13C; U-15N], 0.9 mM; cTnIA162H 3.6 mM; Calcium 10 mM; imidazole 10 mM; DSS, [U-2H], 0.25 mM; DTT 10 mM; Potassium chloride 100 mM

sample_3: cNTnC, [U-13C; U-15N], 0.9 mM; cTnIA162H 3.6 mM; Calcium 10 mM; imidazole 10 mM; DSS, [U-2H], 0.25 mM; DTT 10 mM; Potassium chloride 100 mM

sample_4: cNTnC, [U-15N], 0.9 mM; cTnIA162H 3.6 mM; Calcium 10 mM; imidazole 10 mM; DSS, [U-2H], 0.25 mM; DTT 10 mM; Potassium chloride 100 mM

sample_conditions_1: ionic strength: 0.12 M; pH: 6.1; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_3isotropicsample_conditions_1
2D DQF-COSYsample_4isotropicsample_conditions_1
2D 1H-1H NOESYsample_4isotropicsample_conditions_1
2D 1H-1H COSYsample_4isotropicsample_conditions_1
13C-15N filtered TOCSYsample_3isotropicsample_conditions_1
13C-15N filtered NOESYsample_3isotropicsample_conditions_1
Chmqcnoesy-Cfiltsample_3isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRViewJ v8.2.33, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

X-PLOR_NIH v2.35, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

PSVS v1.5, Bhattacharya and Montelione - validation

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

BMRB 25035