BMRB Entry 30966

Title:
cTnC-TnI chimera complexed with A2
Deposition date:
2021-11-19
Original release date:
2022-03-30
Authors:
Poppe, L.; Hartman, J.; Romero, A.; Reagan, J.
Citation:

Citation: Poppe, L.; Hartman, J.; Romero, A.; Reagan, J.. "Structural and Thermodynamic Model for the Activation of Cardiac Troponin"  Biochemistry 61, 741-748 (2022).
PubMed: 35349258

Assembly members:

Assembly members:
entity_1, polymer, 129 residues, 14222.121 Da.
entity_C9W, non-polymer, 462.495 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Data sets:
Data typeCount
13C chemical shifts555
15N chemical shifts132
1H chemical shifts912

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22

Entities:

Entity 1, unit_1 129 residues - 14222.121 Da.

1   GLYASPASPILETYRLYSALAALAVALGLU
2   GLNLEUTHRGLUGLUGLNLYSASNGLUPHE
3   LYSALAALAPHEASPILEPHEVALLEUGLY
4   ALAGLUASPGLYCYSILESERTHRLYSGLU
5   LEUGLYLYSVALMETARGMETLEUGLYGLN
6   ASNPROTHRPROGLUGLULEUGLNGLUMET
7   ILEASPGLUVALASPGLUASPGLYSERGLY
8   THRVALASPPHEASPGLUPHELEUVALMET
9   METVALARGCYSMETLYSASPASPSERLYS
10   GLYALAGLYALAGLYVALARGILESERALA
11   ASPALAMETMETGLNALALEULEUGLYALA
12   ARGALALYSGLUSERLEUASPLEUARGALA
13   HISLEULYSGLNVALLYSLYSGLUASP

Entity 2, unit_2 - C21 H23 F N4 O5 S - 462.495 Da.

1   C9W

Samples:

sample_1: cTnC-TnI chimera, [U-13C; U-15N], 1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.2; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D CBCANHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
X-filtered NOESYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1

Software:

TopSpin v3.0, Bruker Biospin - processing

AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

XEASY v1.5.5, Bartels et al. - peak picking

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III HD 800 MHz

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